ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]pent-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]pent-2-enoate CAS Name: (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]pent-2-enoate Traditional Name: (E,4S)-4-[benzyl(cyanomethyl)amino]pent-2-enoic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C)N(CC#N)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/[C@H](C)N(CC#N)CC1=CC=CC=C1

InChI

InChI=1S/C16H20N2O2/c1-3-20-16(19)10-9-14(2)18(12-11-17)13-15-7-5-4-6-8-15/h4-10,14H,3,12-13H2,1-2H3/b10-9+/t14-/m0/s1