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

Systemtic Name: 2-[(1-ethoxy-4-phenyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-ethoxy-4-phenyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-ethoxy-4-phenyl-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-ethoxy-4-phenylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-ethoxy-4-phenyl-isoquinoline-3-carbonyl)amino]acetic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NCC(=O)O

Isomeric SMILES

CCOC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C20H18N2O4/c1-2-26-20-15-11-7-6-10-14(15)17(13-8-4-3-5-9-13)18(22-20)19(25)21-12-16(23)24/h3-11H,2,12H2,1H3,(H,21,25)(H,23,24)