4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl(2-cyanoethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl(2-cyanoethyl)amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl(2-cyanoethyl)amino]-4-keto-butyric acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)CCC(=O)O

InChI

InChI=1S/C14H16N2O3/c15-9-4-10-16(13(17)7-8-14(18)19)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-8,10-11H2,(H,18,19)