[3,4-bis(oxidanyl)phenyl]methyl 6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl 6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: (3,4-dihydroxyphenyl)methyl 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (3,4-dihydroxyphenyl)methyl ester IUPAC Name: (3,4-dihydroxyphenyl)methyl 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid protocatechuyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6/c19-12-2-1-9(5-13(12)20)8-24-17(23)16-11-7-15(22)14(21)6-10(11)3-4-18-16/h1-2,5-7,16,18-22H,3-4,8H2