ethanedioic acid; 2-methyl-1-(1-pyridin-2-ylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol

Systemtic Name: ethanedioic acid; 2-methyl-1-(1-pyridin-2-ylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol Openeye Name: 2-methyl-1-[1-(2-pyridyl)cyclobutyl]-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid CAS Name: 2-methyl-1-[1-(2-pyridinyl)cyclobutyl]-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid IUPAC Name: 2-methyl-1-(1-pyridin-2-ylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Traditional Name: 2-methyl-1-[1-(2-pyridyl)cyclobutyl]-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1C3(CCC3)C4=CC=CC=N4)C=C(C=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC2=C(C1C3(CCC3)C4=CC=CC=N4)C=C(C=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O.C2H2O4/c1-21-12-8-14-6-7-15(22)13-16(14)18(21)19(9-4-10-19)17-5-2-3-11-20-17;3-1(4)2(5)6/h2-3,5-7,11,13,18,22H,4,8-10,12H2,1H3;(H,3,4)(H,5,6)