5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[benzyl(2-cyanoethyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[benzyl(2-cyanoethyl)amino]-5-oxopentanoic acid Traditional Name: 5-[benzyl(2-cyanoethyl)amino]-5-keto-valeric acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c16-10-5-11-17(12-13-6-2-1-3-7-13)14(18)8-4-9-15(19)20/h1-3,6-7H,4-5,8-9,11-12H2,(H,19,20)