4-[(6-methoxy-2-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzene-1,2-diol

Systemtic Name: 4-[(6-methoxy-2-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzene-1,2-diol Openeye Name: 4-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzene-1,2-diol CAS Name: 4-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzene-1,2-diol IUPAC Name: 4-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzene-1,2-diol Traditional Name: 4-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]pyrocatechol Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)OC

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)OC

InChI

InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3