4-[1,3-bis(fluoranyl)-3-[3-methoxy-4-[(1-methylindol-3-yl)carbonylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[1,3-bis(fluoranyl)-3-[3-methoxy-4-[(1-methylindol-3-yl)carbonylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[1,3-difluoro-3-[3-methoxy-4-[(1-methylindole-3-carbonyl)amino]phenyl]-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[1,3-difluoro-3-[3-methoxy-4-[[(1-methyl-3-indolyl)-oxomethyl]amino]phenyl]-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[1,3-difluoro-3-[3-methoxy-4-[(1-methylindole-3-carbonyl)amino]phenyl]-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[1,3-difluoro-2-keto-3-[3-methoxy-4-[(1-methylindole-3-carbonyl)amino]phenyl]-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C31H35F2N3O6 MolecularWeight: 583.622906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)C(C(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)F)F)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)C(C(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)F)F)OC

InChI

InChI=1S/C31H35F2N3O6/c1-35-18-23(22-7-3-4-8-25(22)35)29(38)34-24-14-11-20(17-26(24)41-2)27(32)28(37)31(33,36-15-5-6-16-36)42-21-12-9-19(10-13-21)30(39)40/h3-4,7-8,11,14,17-19,21,27H,5-6,9-10,12-13,15-16H2,1-2H3,(H,34,38)(H,39,40)