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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-3-(3-methoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3-methoxyphenyl)-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-proline Formula: C32H32ClNO7S MolecularWeight: 610.11698

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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=C(S5)Cl)C6=CC(=CC=C6)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(S5)Cl)C6=CC(=CC=C6)OC)C(=O)O

InChI

InChI=1S/C32H32ClNO7S/c1-32(31(37)38)27(19-9-6-10-21(15-19)39-2)26(29(35)24-13-14-25(33)42-24)28(20-11-12-22-23(16-20)41-17-40-22)34(32)30(36)18-7-4-3-5-8-18/h6,9-16,18,26-28H,3-5,7-8,17H2,1-2H3,(H,37,38)