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

Systemtic Name: 1-(3-butoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(3-butoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(3-butoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(3-butoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(3-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=CC(=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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