5-[2-cyanoethyl(phenyl)amino]pentanoate

Systemtic Name: 5-[2-cyanoethyl(phenyl)amino]pentanoate Openeye Name: 5-[N-(2-cyanoethyl)anilino]pentanoate CAS Name: 5-[N-(2-cyanoethyl)anilino]pentanoate IUPAC Name: 5-[N-(2-cyanoethyl)anilino]pentanoate Traditional Name: 5-[N-(2-cyanoethyl)anilino]valerate Formula: C14H17N2O2- MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCCCC(=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N(CCCCC(=O)[O-])CCC#N

InChI

InChI=1S/C14H18N2O2/c15-10-6-12-16(11-5-4-9-14(17)18)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9,11-12H2,(H,17,18)/p-1