2-[3-(6-cyanonaphthalen-2-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(6-cyanonaphthalen-2-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(6-cyano-2-naphthyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(6-cyano-2-naphthalenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(6-cyanonaphthalen-2-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(6-cyano-2-naphthyl)propanoylamino]benzoic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)C=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)C=C(C=C3)C#N

InChI

InChI=1S/C21H16N2O3/c22-13-15-6-9-16-11-14(5-8-17(16)12-15)7-10-20(24)23-19-4-2-1-3-18(19)21(25)26/h1-6,8-9,11-12H,7,10H2,(H,23,24)(H,25,26)