[8-methoxy-1-methyl-7-(phenylcarbonyloxy)-1,2,3,4-tetrahydroisoquinolin-6-yl] benzoate hydrochloride

Systemtic Name: [8-methoxy-1-methyl-7-(phenylcarbonyloxy)-1,2,3,4-tetrahydroisoquinolin-6-yl] benzoate hydrochloride Openeye Name: (7-benzoyloxy-8-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl) benzoate hydrochloride CAS Name: benzoic acid (7-benzoyloxy-8-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl) ester hydrochloride IUPAC Name: (7-benzoyloxy-8-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl) benzoate hydrochloride Traditional Name: benzoic acid (7-benzoyloxy-8-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl) ester hydrochloride Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=C(C=C2CCN1)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC.Cl

Isomeric SMILES

CC1C2=C(C(=C(C=C2CCN1)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC.Cl

InChI

InChI=1S/C25H23NO5.ClH/c1-16-21-19(13-14-26-16)15-20(30-24(27)17-9-5-3-6-10-17)22(23(21)29-2)31-25(28)18-11-7-4-8-12-18;/h3-12,15-16,26H,13-14H2,1-2H3;1H