6,7-diethoxy-1-(3-methoxy-4-phenethyloxy-phenyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7-diethoxy-1-(3-methoxy-4-phenethyloxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7-diethoxy-1-(3-methoxy-4-phenethyloxy-phenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-diethoxy-1-(3-methoxy-4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7-diethoxy-1-(3-methoxy-4-phenethyloxyphenyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7-diethoxy-1-(3-methoxy-4-phenethyloxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C28H33NO4 MolecularWeight: 447.56592

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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)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO4/c1-4-31-26-17-21-13-15-29-28(23(21)19-27(26)32-5-2)22-11-12-24(25(18-22)30-3)33-16-14-20-9-7-6-8-10-20/h6-12,17-19,28-29H,4-5,13-16H2,1-3H3