1-[(4-hydroxyphenyl)methyl]-6,7-bis(oxidanyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid

Systemtic Name: 1-[(4-hydroxyphenyl)methyl]-6,7-bis(oxidanyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Openeye Name: 6,7-dihydroxy-1-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid CAS Name: 6,7-dihydroxy-1-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid IUPAC Name: 6,7-dihydroxy-1-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Traditional Name: 6,7-dihydroxy-1-(4-hydroxybenzyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C17H17NO5/c19-12-3-1-10(2-4-12)9-17(16(22)23)13-8-15(21)14(20)7-11(13)5-6-18-17/h1-4,7-8,18-21H,5-6,9H2,(H,22,23)