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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)C=CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CC2)C=CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C29H26ClNO4S/c1-29(28(34)35)25(23-11-6-16-36-23)24(26(32)20-9-5-10-21(30)17-20)22(31(29)27(33)19-13-14-19)15-12-18-7-3-2-4-8-18/h2-12,15-17,19,22,24-25H,13-14H2,1H3,(H,34,35)