methyl 3-[2-cyanoethyl-(phenylmethyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-cyanoethyl-(phenylmethyl)amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[benzyl(2-cyanoethyl)amino]-3-oxo-propanoate CAS Name: 3-[2-cyanoethyl-(phenylmethyl)amino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[benzyl(2-cyanoethyl)amino]-3-oxopropanoate Traditional Name: 3-[benzyl(2-cyanoethyl)amino]-3-keto-propionic acid methyl ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C14H16N2O3/c1-19-14(18)10-13(17)16(9-5-8-15)11-12-6-3-2-4-7-12/h2-4,6-7H,5,9-11H2,1H3