(4-hydroxyphenyl)methyl 6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: (4-hydroxyphenyl)methyl 6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: (4-hydroxyphenyl)methyl 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (4-hydroxyphenyl)methyl ester IUPAC Name: (4-hydroxyphenyl)methyl 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (4-hydroxybenzyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)C(=O)OCC3=CC=C(C=C3)O

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)C(=O)OCC3=CC=C(C=C3)O

InChI

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