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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclohexylcarbonyl-2-methyl-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-styryl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-2-methyl-5-(2-phenylethenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-(2-phenylethenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-styryl-3-(2-thienyl)proline Formula: C32H32ClNO4S MolecularWeight: 562.11878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)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)C2CCCCC2)C=CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C32H32ClNO4S/c1-32(31(37)38)28(26-16-9-19-39-26)27(29(35)23-14-8-15-24(33)20-23)25(18-17-21-10-4-2-5-11-21)34(32)30(36)22-12-6-3-7-13-22/h2,4-5,8-11,14-20,22,25,27-28H,3,6-7,12-13H2,1H3,(H,37,38)