2-cyanoethyl (E)-2-[(phenylmethyl)amino]but-2-enoate

Systemtic Name: 2-cyanoethyl (E)-2-[(phenylmethyl)amino]but-2-enoate Openeye Name: 2-cyanoethyl (E)-2-(benzylamino)but-2-enoate CAS Name: (E)-2-[(phenylmethyl)amino]-2-butenoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (E)-2-(benzylamino)but-2-enoate Traditional Name: (E)-2-(benzylamino)but-2-enoic acid 2-cyanoethyl ester Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=O)OCCC#N)NCC1=CC=CC=C1

Isomeric SMILES

C/C=C(\C(=O)OCCC#N)/NCC1=CC=CC=C1

InChI

InChI=1S/C14H16N2O2/c1-2-13(14(17)18-10-6-9-15)16-11-12-7-4-3-5-8-12/h2-5,7-8,16H,6,10-11H2,1H3/b13-2+