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

Systemtic Name: 6,7-diethoxy-1-(3-methoxy-2-phenylmethoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-diethoxy-1-(3-methoxy-2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7-diethoxy-1-(3-methoxy-2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(2-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=C(C(=CC=C3)OC)OCC4=CC=CC=C4)OCC

Isomeric SMILES

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

InChI

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