[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-2-propenoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)acrylic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCC(CC2)C(=O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC(CC2)C(=O)N)OC

InChI

InChI=1S/C21H28N2O6/c1-3-12-28-17-6-4-15(13-18(17)27-2)5-7-20(25)29-14-19(24)23-10-8-16(9-11-23)21(22)26/h4-7,13,16H,3,8-12,14H2,1-2H3,(H2,22,26)/b7-5+