methyl 4-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate Openeye Name: methyl 4-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzoate CAS Name: 4-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzoate Traditional Name: 4-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzoic acid methyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1CC3=CC=C(C=C3)C(=O)OC)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1CC3=CC=C(C=C3)C(=O)OC)O)O

InChI

InChI=1S/C19H21NO4/c1-12-16-10-18(22)17(21)9-15(16)7-8-20(12)11-13-3-5-14(6-4-13)19(23)24-2/h3-6,9-10,12,21-22H,7-8,11H2,1-2H3