1-[1-(4-chlorophenyl)cyclobutyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; ethanedioic acid

Systemtic Name: 1-[1-(4-chlorophenyl)cyclobutyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; ethanedioic acid Openeye Name: 1-[1-(4-chlorophenyl)cyclobutyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid CAS Name: 1-[1-(4-chlorophenyl)cyclobutyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid IUPAC Name: 1-[1-(4-chlorophenyl)cyclobutyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Traditional Name: 1-[1-(4-chlorophenyl)cyclobutyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=C(C=C4)Cl)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1C3(CCC3)C4=CC=C(C=C4)Cl)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24ClNO2.C2H2O4/c1-23-11-8-14-12-19(25-2)18(24)13-17(14)20(23)21(9-3-10-21)15-4-6-16(22)7-5-15;3-1(4)2(5)6/h4-7,12-13,20,24H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)