1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid

Systemtic Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid CAS Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Traditional Name: 1-(3-fluorobenzyl)-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Formula: C19H18FNO4 MolecularWeight: 343.348923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(C(=O)N2CC3=CC(=CC=C3)F)C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CCC(C(=O)N2CC3=CC(=CC=C3)F)C(=O)O)C=C1

InChI

InChI=1S/C19H18FNO4/c1-25-15-7-5-13-6-8-16(19(23)24)18(22)21(17(13)10-15)11-12-3-2-4-14(20)9-12/h2-5,7,9-10,16H,6,8,11H2,1H3,(H,23,24)