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

Systemtic Name: 1-(4-butoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(4-butoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(4-butoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(4-butoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(4-butoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC4=CC=CC=C4

InChI

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