methyl (E)-2-cyano-3-phenylazanyl-3-piperidin-1-yl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-phenylazanyl-3-piperidin-1-yl-prop-2-enoate Openeye Name: methyl (E)-3-anilino-2-cyano-3-(1-piperidyl)prop-2-enoate CAS Name: (E)-3-anilino-2-cyano-3-(1-piperidinyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-2-cyano-3-piperidin-1-ylprop-2-enoate Traditional Name: (E)-3-anilino-2-cyano-3-piperidino-acrylic acid methyl ester Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1=CC=CC=C1)N2CCCCC2)C#N

Isomeric SMILES

COC(=O)/C(=C(\NC1=CC=CC=C1)/N2CCCCC2)/C#N

InChI

InChI=1S/C16H19N3O2/c1-21-16(20)14(12-17)15(19-10-6-3-7-11-19)18-13-8-4-2-5-9-13/h2,4-5,8-9,18H,3,6-7,10-11H2,1H3/b15-14+