[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)N2C(CCCC2C)C)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)N2C(CCCC2C)C)Cl)OC

InChI

InChI=1S/C21H28ClNO5/c1-5-27-18-12-16(11-17(22)21(18)26-4)9-10-20(25)28-13-19(24)23-14(2)7-6-8-15(23)3/h9-12,14-15H,5-8,13H2,1-4H3/b10-9+