3-[6-[(Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-[(Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-[(Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[(1Z)-1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-[(Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-[(Z)-N-[4-cyclohexyl-3-(trifluoromethyl)benzyl]oxy-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C28H33F3N2O3 MolecularWeight: 502.56843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)C3=CC4=C(CN(CC4)CCC(=O)O)C=C3

Isomeric SMILES

C/C(=N/OCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)/C3=CC4=C(CN(CC4)CCC(=O)O)C=C3

InChI

InChI=1S/C28H33F3N2O3/c1-19(22-8-9-24-17-33(14-12-27(34)35)13-11-23(24)16-22)32-36-18-20-7-10-25(21-5-3-2-4-6-21)26(15-20)28(29,30)31/h7-10,15-16,21H,2-6,11-14,17-18H2,1H3,(H,34,35)/b32-19-