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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H27NO5/c1-15(20(23)21-12-6-4-5-7-13-21)26-19(22)11-9-16-8-10-17(24-2)18(14-16)25-3/h8-11,14-15H,4-7,12-13H2,1-3H3/b11-9+