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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclohexylcarbonyl-3-(3,4-dimethoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-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-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclohexanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-proline Formula: C36H36N2O8 MolecularWeight: 624.67964

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)C#N)C6=CC(=C(C=C6)OC)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)C#N)C6=CC(=C(C=C6)OC)OC)C(=O)O

InChI

InChI=1S/C36H36N2O8/c1-36(35(41)42)31(24-13-15-26(43-2)28(17-24)44-3)30(33(39)22-11-9-21(19-37)10-12-22)32(25-14-16-27-29(18-25)46-20-45-27)38(36)34(40)23-7-5-4-6-8-23/h9-18,23,30-32H,4-8,20H2,1-3H3,(H,41,42)