6-[2-cyanoethyl(phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-cyanoethyl(phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[N-(2-cyanoethyl)anilino]-6-oxo-hexanoic acid CAS Name: 6-[N-(2-cyanoethyl)anilino]-6-oxohexanoic acid IUPAC Name: 6-[N-(2-cyanoethyl)anilino]-6-oxohexanoic acid Traditional Name: 6-[N-(2-cyanoethyl)anilino]-6-keto-hexanoic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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