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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclohexylcarbonyl-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C30H29ClN2O6S MolecularWeight: 581.07906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)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)C2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C30H29ClN2O6S/c1-30(29(36)37)25(23-14-7-15-40-23)24(27(34)20-11-5-12-21(31)16-20)26(19-10-6-13-22(17-19)33(38)39)32(30)28(35)18-8-3-2-4-9-18/h5-7,10-18,24-26H,2-4,8-9H2,1H3,(H,36,37)