1-[(3-chlorophenyl)carbamoyl]-5-(3-methylphenyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)carbamoyl]-5-(3-methylphenyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)carbamoyl]-4-(4-methylbenzoyl)-5-(m-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-chloroanilino)-oxomethyl]-5-(3-methylphenyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)carbamoyl]-4-(4-methylbenzoyl)-5-(3-methylphenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)carbamoyl]-5-(m-tolyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C31H27ClN2O4S MolecularWeight: 559.07508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)C)C(=O)NC4=CC(=CC=C4)Cl)C(=O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)C)C(=O)NC4=CC(=CC=C4)Cl)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C31H27ClN2O4S/c1-18-11-13-20(14-12-18)29(35)26-25(24-10-5-15-39-24)28(30(36)37)34(27(26)21-7-3-6-19(2)16-21)31(38)33-23-9-4-8-22(32)17-23/h3-17,25-28H,1-2H3,(H,33,38)(H,36,37)