2-[(1-azanylisoquinolin-7-yl)carbonyl-naphthalen-1-yl-amino]ethanoic acid

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)carbonyl-naphthalen-1-yl-amino]ethanoic acid Openeye Name: 2-[(1-aminoisoquinoline-7-carbonyl)-(1-naphthyl)amino]acetic acid CAS Name: 2-[[(1-amino-7-isoquinolinyl)-oxomethyl]-(1-naphthalenyl)amino]acetic acid IUPAC Name: 2-[(1-aminoisoquinoline-7-carbonyl)-naphthalen-1-ylamino]acetic acid Traditional Name: 2-[(1-aminoisoquinoline-7-carbonyl)-(1-naphthyl)amino]acetic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N(CC(=O)O)C(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N(CC(=O)O)C(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C22H17N3O3/c23-21-18-12-16(9-8-15(18)10-11-24-21)22(28)25(13-20(26)27)19-7-3-5-14-4-1-2-6-17(14)19/h1-12H,13H2,(H2,23,24)(H,26,27)