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

Systemtic Name: 6,7-diethoxy-1-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(4-benzyloxy-3-methoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-diethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7-diethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(4-benzoxy-3-methoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OCC

InChI

InChI=1S/C27H31NO4/c1-4-30-25-15-20-13-14-28-27(22(20)17-26(25)31-5-2)21-11-12-23(24(16-21)29-3)32-18-19-9-7-6-8-10-19/h6-12,15-17,27-28H,4-5,13-14,18H2,1-3H3