ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-5-methyl-hex-2-enoate

Systemtic Name: ethyl (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-5-methyl-hex-2-enoate Openeye Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]-5-methyl-hex-2-enoate CAS Name: (E,4S)-4-[cyanomethyl-(phenylmethyl)amino]-5-methyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[benzyl(cyanomethyl)amino]-5-methylhex-2-enoate Traditional Name: (E,4S)-4-[benzyl(cyanomethyl)amino]-5-methyl-hex-2-enoic acid ethyl ester Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-4-22-18(21)11-10-17(15(2)3)20(13-12-19)14-16-8-6-5-7-9-16/h5-11,15,17H,4,13-14H2,1-3H3/b11-10+/t17-/m1/s1