2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexyl)carbonyl-amino]-4-fluoranyl-5-isoquinolin-1-yloxy-benzoic acid

Systemtic Name: 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexyl)carbonyl-amino]-4-fluoranyl-5-isoquinolin-1-yloxy-benzoic acid Openeye Name: 4-fluoro-5-(1-isoquinolyloxy)-2-[[2-methoxy-1-(methoxymethyl)ethyl]-(4-methylcyclohexanecarbonyl)amino]benzoic acid CAS Name: 2-[1,3-dimethoxypropan-2-yl-[(4-methylcyclohexyl)-oxomethyl]amino]-4-fluoro-5-(1-isoquinolinyloxy)benzoic acid IUPAC Name: 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-isoquinolin-1-yloxybenzoic acid Traditional Name: 4-fluoro-5-(1-isoquinolyloxy)-2-[[2-methoxy-1-(methoxymethyl)ethyl]-(4-methylcyclohexanecarbonyl)amino]benzoic acid Formula: C29H33FN2O6 MolecularWeight: 524.580523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=CC(=C(C=C2C(=O)O)OC3=NC=CC4=CC=CC=C43)F)C(COC)COC

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=CC(=C(C=C2C(=O)O)OC3=NC=CC4=CC=CC=C43)F)C(COC)COC

InChI

InChI=1S/C29H33FN2O6/c1-18-8-10-20(11-9-18)28(33)32(21(16-36-2)17-37-3)25-15-24(30)26(14-23(25)29(34)35)38-27-22-7-5-4-6-19(22)12-13-31-27/h4-7,12-15,18,20-21H,8-11,16-17H2,1-3H3,(H,34,35)