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

Systemtic Name: 3-(4-chlorophenyl)-1-cyclobutylcarbonyl-2-methyl-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-[cyclobutyl(oxo)methyl]-2-methyl-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-nitrophenyl)-4-(2-thenoyl)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=CS4)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

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