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

Systemtic Name: (phenylmethyl) 2-[3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-5-(phenylmethyl)isoquinolin-2-yl]ethanoate Openeye Name: benzyl 2-(5-benzyl-6,8-dihydroxy-3-methyl-1-oxo-2-isoquinolyl)acetate CAS Name: 2-[6,8-dihydroxy-3-methyl-1-oxo-5-(phenylmethyl)-2-isoquinolinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-benzyl-6,8-dihydroxy-3-methyl-1-oxoisoquinolin-2-yl)acetate Traditional Name: 2-(5-benzyl-6,8-dihydroxy-1-keto-3-methyl-2-isoquinolyl)acetic acid benzyl ester Formula: C26H23NO5 MolecularWeight: 429.46452

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=CC(=C2CC3=CC=CC=C3)O)O)C(=O)N1CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO5/c1-17-12-21-20(13-18-8-4-2-5-9-18)22(28)14-23(29)25(21)26(31)27(17)15-24(30)32-16-19-10-6-3-7-11-19/h2-12,14,28-29H,13,15-16H2,1H3