[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C=CC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C21H29NO6/c1-15(21(24)22-11-7-5-6-8-12-22)28-20(23)10-9-16-13-18(26-3)19(27-4)14-17(16)25-2/h9-10,13-15H,5-8,11-12H2,1-4H3/b10-9+