4-(3-chlorophenyl)carbonyl-1-(2-methoxyethanoyl)-2-methyl-5-(3-methylphenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-(2-methoxyethanoyl)-2-methyl-5-(3-methylphenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(2-methoxyacetyl)-2-methyl-5-(m-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-(2-methoxy-1-oxoethyl)-2-methyl-5-(3-methylphenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-methylphenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(2-methoxyacetyl)-2-methyl-5-(m-tolyl)-3-(2-thienyl)proline Formula: C27H26ClNO5S MolecularWeight: 512.01704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)COC)(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)COC)(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H26ClNO5S/c1-16-7-4-8-17(13-16)24-22(25(31)18-9-5-10-19(28)14-18)23(20-11-6-12-35-20)27(2,26(32)33)29(24)21(30)15-34-3/h4-14,22-24H,15H2,1-3H3,(H,32,33)