4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-styryl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-5-(2-phenylethenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-(2-phenylethenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-5-styryl-3-(2-thienyl)proline Formula: C29H26ClNO4S MolecularWeight: 520.03904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

InChI

InChI=1S/C29H26ClNO4S/c30-21-12-5-11-20(17-21)27(32)24-22(15-14-18-7-2-1-3-8-18)31(28(33)19-9-4-10-19)26(29(34)35)25(24)23-13-6-16-36-23/h1-3,5-8,11-17,19,22,24-26H,4,9-10H2,(H,34,35)