2-[(1-chloranyl-4-phenyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-4-phenyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-phenyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-phenyl-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-phenylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-phenyl-isoquinoline-3-carbonyl)amino]acetic acid Formula: C18H13ClN2O3 MolecularWeight: 340.76042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C3=CC=CC=C32)Cl)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C3=CC=CC=C32)Cl)C(=O)NCC(=O)O

InChI

InChI=1S/C18H13ClN2O3/c19-17-13-9-5-4-8-12(13)15(11-6-2-1-3-7-11)16(21-17)18(24)20-10-14(22)23/h1-9H,10H2,(H,20,24)(H,22,23)