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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-2-methyl-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-styryl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-2-methyl-5-(2-phenylethenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(2-phenylethenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-styryl-3-(2-thienyl)proline Formula: C30H28ClNO4S MolecularWeight: 534.06562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCC2)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)C2CCC2)C=CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C30H28ClNO4S/c1-30(29(35)36)26(24-14-7-17-37-24)25(27(33)21-12-6-13-22(31)18-21)23(16-15-19-8-3-2-4-9-19)32(30)28(34)20-10-5-11-20/h2-4,6-9,12-18,20,23,25-26H,5,10-11H2,1H3,(H,35,36)