1-[3,5-di(butan-2-yl)-4-methoxy-phenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[3,5-di(butan-2-yl)-4-methoxy-phenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7-diethoxy-1-(4-methoxy-3,5-disec-butyl-phenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[3,5-di(butan-2-yl)-4-methoxyphenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[3,5-di(butan-2-yl)-4-methoxyphenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7-diethoxy-1-(4-methoxy-3,5-disec-butyl-phenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)C2C3=CC(=C(C=C3CCN2)OCC)OCC

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)C2C3=CC(=C(C=C3CCN2)OCC)OCC

InChI

InChI=1S/C28H41NO3/c1-8-18(5)22-14-21(15-23(19(6)9-2)28(22)30-7)27-24-17-26(32-11-4)25(31-10-3)16-20(24)12-13-29-27/h14-19,27,29H,8-13H2,1-7H3