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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-methyl-proline Formula: C31H31ClFNO5S MolecularWeight: 584.097943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC=C(C=C3)F)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=C(C=C3)F)C(=O)C4=CC=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C31H31ClFNO5S/c1-31(30(37)38)26(20-9-6-10-22(17-20)39-2)25(28(35)23-15-16-24(32)40-23)27(18-11-13-21(33)14-12-18)34(31)29(36)19-7-4-3-5-8-19/h6,9-17,19,25-27H,3-5,7-8H2,1-2H3,(H,37,38)