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

Systemtic Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-4-(4-methylbenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-chloroanilino)-oxomethyl]-5-(4-cyanophenyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-4-(4-methylbenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)carbamoyl]-5-(4-cyanophenyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C31H24ClN3O4S MolecularWeight: 570.05796

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H24ClN3O4S/c1-18-7-11-21(12-8-18)29(36)26-25(24-6-3-15-40-24)28(30(37)38)35(27(26)20-13-9-19(17-33)10-14-20)31(39)34-23-5-2-4-22(32)16-23/h2-16,25-28H,1H3,(H,34,39)(H,37,38)