ethanedioic acid; 2-methyl-3-[methyl(phenethyl)amino]-1-phenyl-1-pyridin-2-yl-propan-1-ol; hydrate

Systemtic Name: ethanedioic acid; 2-methyl-3-[methyl(phenethyl)amino]-1-phenyl-1-pyridin-2-yl-propan-1-ol; hydrate Openeye Name: 2-methyl-3-[methyl(phenethyl)amino]-1-phenyl-1-(2-pyridyl)propan-1-ol; oxalic acid; hydrate CAS Name: 2-methyl-3-[methyl(phenethyl)amino]-1-phenyl-1-(2-pyridinyl)-1-propanol; oxalic acid; hydrate IUPAC Name: 2-methyl-3-[methyl(phenethyl)amino]-1-phenyl-1-pyridin-2-ylpropan-1-ol; oxalic acid; hydrate Traditional Name: 2-methyl-3-[methyl(phenethyl)amino]-1-phenyl-1-(2-pyridyl)propan-1-ol; oxalic acid; hydrate Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=N3)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=N3)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C24H28N2O.C2H2O4.H2O/c1-20(19-26(2)18-16-21-11-5-3-6-12-21)24(27,22-13-7-4-8-14-22)23-15-9-10-17-25-23;3-1(4)2(5)6;/h3-15,17,20,27H,16,18-19H2,1-2H3;(H,3,4)(H,5,6);1H2