Primary record
E2X42CXC6A
- CAS
- 195708-08-8
- PubChem CID
- 10578321
- SMILES
- CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4
- Molecular Formula
- C31H42N2O6
- Molecular Weight
- 538.685
- Exact Mass
- 538.3043
- InChI
- InChI=1S/C31H42N2O6/c1-5-8-16-32(17-9-6-2)28(34)20-33-19-25(23-12-15-26-27(18-23)39-21-38-26)29(31(35)37-7-3)30(33)22-10-13-24(36-4)14-11-22/h10-15,18,25,29-30H,5-9,16-17,19-21H2,1-4H3/t25-,29-,30+/m1/s1
- InChIKey
- PKYIJQNBCMJVHD-RKJPZGCHSA-N
- LogP
- 5.1725
- TPSA
- 77.54
Names and synonyms
- E2X42CXC6A
- SCHEMBL29832971
- CID10578321
- CID 10578321
- J1.068.496J
- 195708-08-8
- (2R)-1-[(Dibutylcarbamoyl)methyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)pyrrolidine-3alpha-carboxylic acid ethyl ester
- 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-, ethyl ester, [2R-(2alpha,3beta,4alpha)]-
- 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-, ethyl ester, (2R,3R,4S)-
- Ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylate
- ethyl (2R,3R,4S)-4-(2H-1,3-benzodioxol-5-yl)-1-[(dibutylcarbamoyl)methyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate