2-[(1-azanylisoquinolin-7-yl)carbonyl-(3-chlorophenyl)amino]ethanoic acid

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)carbonyl-(3-chlorophenyl)amino]ethanoic acid Openeye Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)-3-chloro-anilino)acetic acid CAS Name: 2-(N-[(1-amino-7-isoquinolinyl)-oxomethyl]-3-chloroanilino)acetic acid IUPAC Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)-3-chloroanilino)acetic acid Traditional Name: 2-(N-(1-aminoisoquinoline-7-carbonyl)-3-chloro-anilino)acetic acid Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3/c19-13-2-1-3-14(9-13)22(10-16(23)24)18(25)12-5-4-11-6-7-21-17(20)15(11)8-12/h1-9H,10H2,(H2,20,21)(H,23,24)