methyl (E)-2-acetamido-3-(4-azanyl-3-piperidin-1-yl-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-acetamido-3-(4-azanyl-3-piperidin-1-yl-phenyl)prop-2-enoate Openeye Name: methyl (E)-2-acetamido-3-[4-amino-3-(1-piperidyl)phenyl]prop-2-enoate CAS Name: (E)-2-acetamido-3-[4-amino-3-(1-piperidinyl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-acetamido-3-(4-amino-3-piperidin-1-ylphenyl)prop-2-enoate Traditional Name: (E)-2-acetamido-3-(4-amino-3-piperidino-phenyl)acrylic acid methyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C=C1)N)N2CCCCC2)C(=O)OC

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C=C1)N)N2CCCCC2)/C(=O)OC

InChI

InChI=1S/C17H23N3O3/c1-12(21)19-15(17(22)23-2)10-13-6-7-14(18)16(11-13)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9,18H2,1-2H3,(H,19,21)/b15-10+