ethyl 1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-isoquinoline-4-carboxylate

Systemtic Name: ethyl 1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-isoquinoline-4-carboxylate Openeye Name: ethyl 1-[(2-fluoro-5-methoxy-phenyl)methyl]-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 1-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-4-carboxylate Traditional Name: 1-(2-fluoro-5-methoxy-benzyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)CC3=C(C=CC(=C3)OC)F

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)CC3=C(C=CC(=C3)OC)F

InChI

InChI=1S/C22H22FNO5/c1-5-29-22(25)17-12-24-19(9-13-8-14(26-2)6-7-18(13)23)16-11-21(28-4)20(27-3)10-15(16)17/h6-8,10-12H,5,9H2,1-4H3