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

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid CAS Name: 2-(N-[(1-amino-7-isoquinolinyl)-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid Traditional Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)anilino)acetic acid Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

InChI

InChI=1S/C18H15N3O3/c19-17-15-10-13(7-6-12(15)8-9-20-17)18(24)21(11-16(22)23)14-4-2-1-3-5-14/h1-10H,11H2,(H2,19,20)(H,22,23)