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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclopropylcarbonyl-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-cyanophenyl)-oxomethyl]-1-[cyclopropyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)proline Formula: C32H28N2O8 MolecularWeight: 568.57332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CC3)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)C3CC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)C#N)OC

InChI

InChI=1S/C32H28N2O8/c1-39-22-11-9-20(13-24(22)40-2)26-27(30(35)18-5-3-17(15-33)4-6-18)28(21-10-12-23-25(14-21)42-16-41-23)34(29(26)32(37)38)31(36)19-7-8-19/h3-6,9-14,19,26-29H,7-8,16H2,1-2H3,(H,37,38)