[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5/c1-29-19-7-3-2-6-16(19)11-14-21(26)30-20-8-4-5-15-25(23(20)28)22(27)17-9-12-18(24)13-10-17/h2-3,6-7,9-14,20H,4-5,8,15H2,1H3/b14-11+