2-[(1-chloranyl-4-oxidanyl-6-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-6-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(6-benzyloxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-6-phenylmethoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-6-phenylmethoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(6-benzoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)NCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)NCC(=O)O)Cl

InChI

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