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

Systemtic Name: 2-[(4-acetyloxy-1-phenyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-acetoxy-1-phenyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(4-acetyloxy-1-phenyl-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-acetyloxy-1-phenylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(4-acetoxy-1-phenyl-isoquinoline-3-carbonyl)amino]acetic acid Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)OC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C20H16N2O5/c1-12(23)27-19-15-10-6-5-9-14(15)17(13-7-3-2-4-8-13)22-18(19)20(26)21-11-16(24)25/h2-10H,11H2,1H3,(H,21,26)(H,24,25)