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

Systemtic Name: 2-[3-[6-(aminomethyl)naphthalen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[6-(aminomethyl)-2-naphthyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[6-(aminomethyl)-2-naphthalenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[6-(aminomethyl)naphthalen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[6-(aminomethyl)-2-naphthyl]propanoylamino]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

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)CN

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/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,7,10,13,22H2,(H,23,24)(H,25,26)