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

Systemtic Name: [3-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)carbonyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(6-benzyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-oxomethyl]phenyl] ester IUPAC Name: [3-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(6-benzoxy-7-methoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] ester Formula: C31H27NO6S MolecularWeight: 541.61418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)C3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)C3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C31H27NO6S/c1-21-11-13-26(14-12-21)39(34,35)38-25-10-6-9-24(17-25)31(33)30-27-19-28(36-2)29(18-23(27)15-16-32-30)37-20-22-7-4-3-5-8-22/h3-14,17-19H,15-16,20H2,1-2H3