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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-2-methyl-1-(m-tolylcarbamoyl)-5-styryl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-2-methyl-1-[(3-methylanilino)-oxomethyl]-5-(2-phenylethenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(2-phenylethenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-2-methyl-1-(m-tolylcarbamoyl)-5-styryl-3-(2-thienyl)proline Formula: C33H29ClN2O4S MolecularWeight: 585.11236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

InChI

InChI=1S/C33H29ClN2O4S/c1-21-9-6-14-25(19-21)35-32(40)36-26(17-16-22-10-4-3-5-11-22)28(30(37)23-12-7-13-24(34)20-23)29(27-15-8-18-41-27)33(36,2)31(38)39/h3-20,26,28-29H,1-2H3,(H,35,40)(H,38,39)