[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C21H19ClFNO5 MolecularWeight: 419.830663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H19ClFNO5/c1-28-17-10-7-14(12-16(17)23)21(27)29-18-4-2-3-11-24(20(18)26)19(25)13-5-8-15(22)9-6-13/h5-10,12,18H,2-4,11H2,1H3