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

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[(3R)-3-carbamoyl-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-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-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-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C20H25ClN2O6 MolecularWeight: 424.8753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)N2CCCC(C2)C(=O)N)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)N2CCC[C@H](C2)C(=O)N)Cl)OC

InChI

InChI=1S/C20H25ClN2O6/c1-3-28-16-10-13(9-15(21)19(16)27-2)6-7-18(25)29-12-17(24)23-8-4-5-14(11-23)20(22)26/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H2,22,26)/b7-6+/t14-/m1/s1