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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclopropylcarbonyl-3-(3,4-dimethoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-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-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-proline Formula: C33H30N2O8 MolecularWeight: 582.5999

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)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)C2CC2)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/C33H30N2O8/c1-33(32(38)39)28(21-10-12-23(40-2)25(14-21)41-3)27(30(36)19-6-4-18(16-34)5-7-19)29(35(33)31(37)20-8-9-20)22-11-13-24-26(15-22)43-17-42-24/h4-7,10-15,20,27-29H,8-9,17H2,1-3H3,(H,38,39)