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

Systemtic Name: [4-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)carbonyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(6-benzyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-oxomethyl]phenyl] ester IUPAC Name: [4-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(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=C(C=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=C(C=C2)C(=O)C3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

InChI

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