[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,4-dimethoxyphenyl)acrylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C24H24FNO6 MolecularWeight: 441.448863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FNO6/c1-30-19-12-8-16(21(15-19)31-2)9-13-22(27)32-20-5-3-4-14-26(24(20)29)23(28)17-6-10-18(25)11-7-17/h6-13,15,20H,3-5,14H2,1-2H3/b13-9+