(2-methanoyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl benzoate

Systemtic Name: (2-methanoyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl benzoate Openeye Name: (2-formyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl benzoate CAS Name: benzoic acid (2-formyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl ester IUPAC Name: (2-formyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl benzoate Traditional Name: benzoic acid (2-formyl-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(N(CC2)C=O)COC(=O)C3=CC=CC=C3)C(=C1OC)OC)OC

Isomeric SMILES

CC1=C(C2=C(C(N(CC2)C=O)COC(=O)C3=CC=CC=C3)C(=C1OC)OC)OC

InChI

InChI=1S/C22H25NO6/c1-14-19(26-2)16-10-11-23(13-24)17(18(16)21(28-4)20(14)27-3)12-29-22(25)15-8-6-5-7-9-15/h5-9,13,17H,10-12H2,1-4H3