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

Systemtic Name: [1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-ethyl-1-piperidyl)-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-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C=CC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C22H31NO6/c1-6-17-9-7-8-12-23(17)22(25)15(2)29-21(24)11-10-16-13-19(27-4)20(28-5)14-18(16)26-3/h10-11,13-15,17H,6-9,12H2,1-5H3/b11-10+