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

Systemtic Name: 2-[(1-chloranyl-4-ethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-ethoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-ethoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-ethoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-ethoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=C(C2=CC=CC=C21)Cl)C(=O)NCC(=O)O

Isomeric SMILES

CCOC1=C(N=C(C2=CC=CC=C21)Cl)C(=O)NCC(=O)O

InChI

InChI=1S/C14H13ClN2O4/c1-2-21-12-8-5-3-4-6-9(8)13(15)17-11(12)14(20)16-7-10(18)19/h3-6H,2,7H2,1H3,(H,16,20)(H,18,19)