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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanophenyl)carbonyl-1-cyclobutylcarbonyl-3-(3,4-dimethoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclobutanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-cyanophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclobutanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(4-cyanobenzoyl)-1-(cyclobutanecarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-proline Formula: C34H32N2O8 MolecularWeight: 596.62648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCC2)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)C2CCC2)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/C34H32N2O8/c1-34(33(39)40)29(22-11-13-24(41-2)26(15-22)42-3)28(31(37)20-9-7-19(17-35)8-10-20)30(36(34)32(38)21-5-4-6-21)23-12-14-25-27(16-23)44-18-43-25/h7-16,21,28-30H,4-6,18H2,1-3H3,(H,39,40)