5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclohexylcarbonyl-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclohexylcarbonyl-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-cyanophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)proline Formula: C35H34N2O8 MolecularWeight: 610.65306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C35H34N2O8/c1-42-25-14-12-23(16-27(25)43-2)29-30(33(38)21-10-8-20(18-36)9-11-21)31(24-13-15-26-28(17-24)45-19-44-26)37(32(29)35(40)41)34(39)22-6-4-3-5-7-22/h8-17,22,29-32H,3-7,19H2,1-2H3,(H,40,41)