1-azanyl-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid

Systemtic Name: 1-azanyl-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid Openeye Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid CAS Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid IUPAC Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid Traditional Name: 1-amino-3-[3-(3-methoxyphenyl)phenyl]-3-(trifluoromethyl)-4H-isoquinoline-6-carboxylic acid Formula: C24H19F3N2O3 MolecularWeight: 440.41447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)C3(CC4=C(C=CC(=C4)C(=O)O)C(=N3)N)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)C3(CC4=C(C=CC(=C4)C(=O)O)C(=N3)N)C(F)(F)F

InChI

InChI=1S/C24H19F3N2O3/c1-32-19-7-3-5-15(12-19)14-4-2-6-18(11-14)23(24(25,26)27)13-17-10-16(22(30)31)8-9-20(17)21(28)29-23/h2-12H,13H2,1H3,(H2,28,29)(H,30,31)