1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol; oxalic acid CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol; oxalic acid Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCC3=CC=CC=C3C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCC3=CC=CC=C3C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29NO2.C2H2O4/c1-16(2)21-9-8-17(3)12-22(21)25-15-20(24)14-23-11-10-18-6-4-5-7-19(18)13-23;3-1(4)2(5)6/h4-9,12,16,20,24H,10-11,13-15H2,1-3H3;(H,3,4)(H,5,6)