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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C25H26FNO4 MolecularWeight: 423.476643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO4/c1-17(2)19-9-6-18(7-10-19)8-15-23(28)31-22-5-3-4-16-27(25(22)30)24(29)20-11-13-21(26)14-12-20/h6-15,17,22H,3-5,16H2,1-2H3/b15-8+