ethyl (E,4R)-4-[cyanomethyl-(phenylmethyl)amino]-4-phenyl-but-2-enoate

Systemtic Name: ethyl (E,4R)-4-[cyanomethyl-(phenylmethyl)amino]-4-phenyl-but-2-enoate Openeye Name: ethyl (E,4R)-4-[benzyl(cyanomethyl)amino]-4-phenyl-but-2-enoate CAS Name: (E,4R)-4-[cyanomethyl-(phenylmethyl)amino]-4-phenyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (E,4R)-4-[benzyl(cyanomethyl)amino]-4-phenylbut-2-enoate Traditional Name: (E,4R)-4-[benzyl(cyanomethyl)amino]-4-phenyl-but-2-enoic acid ethyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C1=CC=CC=C1)N(CC#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/[C@H](C1=CC=CC=C1)N(CC#N)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O2/c1-2-25-21(24)14-13-20(19-11-7-4-8-12-19)23(16-15-22)17-18-9-5-3-6-10-18/h3-14,20H,2,16-17H2,1H3/b14-13+/t20-/m1/s1