methyl 7-fluoranyl-1-phenyl-3-prop-2-enyl-isoquinoline-4-carboxylate

Systemtic Name: methyl 7-fluoranyl-1-phenyl-3-prop-2-enyl-isoquinoline-4-carboxylate Openeye Name: methyl 3-allyl-7-fluoro-1-phenyl-isoquinoline-4-carboxylate CAS Name: 7-fluoro-1-phenyl-3-prop-2-enyl-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-fluoro-1-phenyl-3-prop-2-enylisoquinoline-4-carboxylate Traditional Name: 3-allyl-7-fluoro-1-phenyl-isoquinoline-4-carboxylic acid methyl ester Formula: C20H16FNO2 MolecularWeight: 321.344943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3)CC=C

Isomeric SMILES

COC(=O)C1=C(N=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C20H16FNO2/c1-3-7-17-18(20(23)24-2)15-11-10-14(21)12-16(15)19(22-17)13-8-5-4-6-9-13/h3-6,8-12H,1,7H2,2H3