2-[(1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-benzyloxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-7-phenylmethoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(7-benzoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(N=C3Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(N=C3Cl)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H15ClN2O5/c20-18-14-8-12(27-10-11-4-2-1-3-5-11)6-7-13(14)17(25)16(22-18)19(26)21-9-15(23)24/h1-8,25H,9-10H2,(H,21,26)(H,23,24)