[1-(phenylmethyl)piperidin-3-yl] (E)-3-azanylbut-2-enoate

Systemtic Name: [1-(phenylmethyl)piperidin-3-yl] (E)-3-azanylbut-2-enoate Openeye Name: (1-benzyl-3-piperidyl) (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid [1-(phenylmethyl)-3-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-3-yl) (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid (1-benzyl-3-piperidyl) ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC1CCCN(C1)CC2=CC=CC=C2)N

Isomeric SMILES

C/C(=C\C(=O)OC1CCCN(C1)CC2=CC=CC=C2)/N

InChI

InChI=1S/C16H22N2O2/c1-13(17)10-16(19)20-15-8-5-9-18(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,10,15H,5,8-9,11-12,17H2,1H3/b13-10+