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

Systemtic Name: 1-(3-butoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(3-butoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(3-butoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(3-butoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(3-butoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC

InChI

InChI=1S/C22H29NO3/c1-4-6-12-26-18-9-7-8-17(13-18)22-19-15-21(25-5-2)20(24-3)14-16(19)10-11-23-22/h7-9,13-15,22-23H,4-6,10-12H2,1-3H3