(phenylmethyl) 8-fluoranyl-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylate

Systemtic Name: (phenylmethyl) 8-fluoranyl-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylate Openeye Name: benzyl 8-fluoro-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylate CAS Name: 8-fluoro-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-fluoro-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylate Traditional Name: 8-fluoro-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid benzyl ester Formula: C19H20FNO3 MolecularWeight: 329.365403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(CCN2)C(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(CCN2)C(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C19H20FNO3/c1-23-18-10-15-9-14(7-8-21-17(15)11-16(18)20)19(22)24-12-13-5-3-2-4-6-13/h2-6,10-11,14,21H,7-9,12H2,1H3