[2-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(6-benzyloxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] ester IUPAC Name: [2-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(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=C2CC3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CC3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

InChI

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