6,7-diethoxy-1-(4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7-diethoxy-1-(4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7-diethoxy-1-(4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-diethoxy-1-(4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7-diethoxy-1-(4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7-diethoxy-1-(4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)OCCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)OCCC4=CC=CC=C4)OCC

InChI

InChI=1S/C27H31NO3/c1-3-29-25-18-22-14-16-28-27(24(22)19-26(25)30-4-2)21-10-12-23(13-11-21)31-17-15-20-8-6-5-7-9-20/h5-13,18-19,27-28H,3-4,14-17H2,1-2H3