1-[[2,6-bis(fluoranyl)phenyl]methyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-[(2,6-difluorophenyl)methyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(2,6-difluorophenyl)methyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(2,6-difluorobenzyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C19H15F2NO4 MolecularWeight: 359.323506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2CC3=C(C=CC=C3F)F)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2CC3=C(C=CC=C3F)F)C(=O)O)OC

InChI

InChI=1S/C19H15F2NO4/c1-25-17-7-10-11(8-18(17)26-2)16(22-9-13(10)19(23)24)6-12-14(20)4-3-5-15(12)21/h3-5,7-9H,6H2,1-2H3,(H,23,24)