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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)proline Formula: C31H31ClN2O7S MolecularWeight: 611.10504

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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=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C31H31ClN2O7S/c1-31(30(37)38)26(19-10-7-13-22(17-19)41-2)25(28(35)23-14-15-24(32)42-23)27(20-11-6-12-21(16-20)34(39)40)33(31)29(36)18-8-4-3-5-9-18/h6-7,10-18,25-27H,3-5,8-9H2,1-2H3,(H,37,38)