ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-6-methyl-hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-6-methyl-hept-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]-6-methyl-hept-2-enoate CAS Name: (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-6-methyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]-6-methylhept-2-enoate Traditional Name: (E,4S)-4-[benzyl(cyanomethyl)amino]-6-methyl-hept-2-enoic acid ethyl ester Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2/c1-4-23-19(22)11-10-18(14-16(2)3)21(13-12-20)15-17-8-6-5-7-9-17/h5-11,16,18H,4,13-15H2,1-3H3/b11-10+/t18-/m1/s1