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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C28H25ClN2O6S MolecularWeight: 553.0259

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C28H25ClN2O6S/c1-28(27(34)35)23(21-12-5-13-38-21)22(25(32)18-9-3-10-19(29)14-18)24(30(28)26(33)16-6-2-7-16)17-8-4-11-20(15-17)31(36)37/h3-5,8-16,22-24H,2,6-7H2,1H3,(H,34,35)