2-[3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-5-(phenylmethyl)isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-5-(phenylmethyl)isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(5-benzyl-6,8-dihydroxy-3-methyl-1-oxo-2-isoquinolyl)acetic acid CAS Name: 2-[6,8-dihydroxy-3-methyl-1-oxo-5-(phenylmethyl)-2-isoquinolinyl]acetic acid IUPAC Name: 2-(5-benzyl-6,8-dihydroxy-3-methyl-1-oxoisoquinolin-2-yl)acetic acid Traditional Name: 2-(5-benzyl-6,8-dihydroxy-1-keto-3-methyl-2-isoquinolyl)acetic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=C2CC3=CC=CC=C3)O)O)C(=O)N1CC(=O)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=C2CC3=CC=CC=C3)O)O)C(=O)N1CC(=O)O

InChI

InChI=1S/C19H17NO5/c1-11-7-14-13(8-12-5-3-2-4-6-12)15(21)9-16(22)18(14)19(25)20(11)10-17(23)24/h2-7,9,21-22H,8,10H2,1H3,(H,23,24)