[3-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(6-benzyloxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] ester IUPAC Name: [3-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(6-benzoxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] ester Formula: C31H29NO5S MolecularWeight: 527.63066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C31H29NO5S/c1-22-11-13-27(14-12-22)38(33,34)37-26-10-6-9-24(17-26)18-29-28-20-30(35-2)31(19-25(28)15-16-32-29)36-21-23-7-4-3-5-8-23/h3-14,17,19-20H,15-16,18,21H2,1-2H3