2-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-yl-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-yl-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(3-isopropyl-5-methyl-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-ylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-ylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(3-isopropyl-5-methyl-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(CCN2CCC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCO5)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(CCN2CCC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCO5)C(C)C

InChI

InChI=1S/C29H33NO3/c1-20(2)25-14-21(3)15-26(16-25)33-27(23-8-9-28-29(17-23)32-19-31-28)11-13-30-12-10-22-6-4-5-7-24(22)18-30/h4-9,14-17,20,27H,10-13,18-19H2,1-3H3