methyl 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[benzyl(2-cyanoethyl)amino]-5-oxo-pentanoate CAS Name: 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[benzyl(2-cyanoethyl)amino]-5-oxopentanoate Traditional Name: 5-[benzyl(2-cyanoethyl)amino]-5-keto-valeric acid methyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-21-16(20)10-5-9-15(19)18(12-6-11-17)13-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-10,12-13H2,1H3