[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-phenyl-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)-2-phenyl-acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C2=CC=CC=C2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C2=CC=CC=C2)/C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C24H27NO4/c1-28-21-13-9-10-19(16-21)17-22(20-11-5-4-6-12-20)24(27)29-18-23(26)25-14-7-2-3-8-15-25/h4-6,9-13,16-17H,2-3,7-8,14-15,18H2,1H3/b22-17+