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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(2-chloranyl-5-methyl-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(2-chloro-5-methyl-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(2-chloro-5-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(2-chloro-5-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-3-(2-chloro-5-methyl-phenoxy)propyl]-3,4-dihydro-1H-isoquinoline Formula: C26H26ClNO3 MolecularWeight: 435.94254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO3/c1-18-6-8-22(27)25(14-18)31-23(20-7-9-24-26(15-20)30-17-29-24)11-13-28-12-10-19-4-2-3-5-21(19)16-28/h2-9,14-15,23H,10-13,16-17H2,1H3