[1-[3-(3-bromanyl-4-phenylmethoxy-phenyl)propyl]-6-methoxy-3,4-dihydroisoquinolin-7-yl] ethyl carbonate

Systemtic Name: [1-[3-(3-bromanyl-4-phenylmethoxy-phenyl)propyl]-6-methoxy-3,4-dihydroisoquinolin-7-yl] ethyl carbonate Openeye Name: [1-[3-(4-benzyloxy-3-bromo-phenyl)propyl]-6-methoxy-3,4-dihydroisoquinolin-7-yl] ethyl carbonate CAS Name: carbonic acid [1-[3-(3-bromo-4-phenylmethoxyphenyl)propyl]-6-methoxy-3,4-dihydroisoquinolin-7-yl] ethyl ester IUPAC Name: [1-[3-(3-bromo-4-phenylmethoxyphenyl)propyl]-6-methoxy-3,4-dihydroisoquinolin-7-yl] ethyl carbonate Traditional Name: carbonic acid [1-[3-(4-benzoxy-3-bromo-phenyl)propyl]-6-methoxy-3,4-dihydroisoquinolin-7-yl] ethyl ester Formula: C29H30BrNO5 MolecularWeight: 552.4562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=C2CCN=C(C2=C1)CCCC3=CC(=C(C=C3)OCC4=CC=CC=C4)Br)OC

Isomeric SMILES

CCOC(=O)OC1=C(C=C2CCN=C(C2=C1)CCCC3=CC(=C(C=C3)OCC4=CC=CC=C4)Br)OC

InChI

InChI=1S/C29H30BrNO5/c1-3-34-29(32)36-28-18-23-22(17-27(28)33-2)14-15-31-25(23)11-7-10-20-12-13-26(24(30)16-20)35-19-21-8-5-4-6-9-21/h4-6,8-9,12-13,16-18H,3,7,10-11,14-15,19H2,1-2H3