[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C28H24FNO5 MolecularWeight: 473.492263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H24FNO5/c1-18-9-11-19(12-10-18)25(31)22-6-2-3-7-23(22)28(34)35-24-8-4-5-17-30(27(24)33)26(32)20-13-15-21(29)16-14-20/h2-3,6-7,9-16,24H,4-5,8,17H2,1H3