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

Systemtic Name: ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]hept-2-enoate CAS Name: (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]hept-2-enoate Traditional Name: (E,4S)-4-[benzyl(cyanomethyl)amino]hept-2-enoic acid ethyl ester Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=CC(=O)OCC)N(CC#N)CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-3-8-17(11-12-18(21)22-4-2)20(14-13-19)15-16-9-6-5-7-10-16/h5-7,9-12,17H,3-4,8,14-15H2,1-2H3/b12-11+/t17-/m0/s1