[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)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:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27NO4/c26-23(25-16-6-1-2-7-17-25)19-29-24(27)15-12-20-10-13-22(14-11-20)28-18-21-8-4-3-5-9-21/h3-5,8-15H,1-2,6-7,16-19H2/b15-12+