5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-cyclohexylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-cyclohexylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-[cyclohexyl(oxo)methyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(cyclohexanecarbonyl)-2-methyl-4-(2-thenoyl)proline Formula: C31H30ClNO6S MolecularWeight: 580.091

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)Cl)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)Cl)C(=O)O

InChI

InChI=1S/C31H30ClNO6S/c1-31(30(36)37)26(18-9-12-21(32)13-10-18)25(28(34)24-8-5-15-40-24)27(20-11-14-22-23(16-20)39-17-38-22)33(31)29(35)19-6-3-2-4-7-19/h5,8-16,19,25-27H,2-4,6-7,17H2,1H3,(H,36,37)