6-chloranyl-2-methyl-1-(1-phenylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol; ethanedioic acid

Systemtic Name: 6-chloranyl-2-methyl-1-(1-phenylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol; ethanedioic acid Openeye Name: 6-chloro-2-methyl-1-(1-phenylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid CAS Name: 6-chloro-2-methyl-1-(1-phenylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid IUPAC Name: 6-chloro-2-methyl-1-(1-phenylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Traditional Name: 6-chloro-2-methyl-1-(1-phenylcyclobutyl)-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO.C2H2O4/c1-22-11-8-14-12-17(21)18(23)13-16(14)19(22)20(9-5-10-20)15-6-3-2-4-7-15;3-1(4)2(5)6/h2-4,6-7,12-13,19,23H,5,8-11H2,1H3;(H,3,4)(H,5,6)