ethanedioic acid; 2-methyl-3-(phenethylamino)-1,1-diphenyl-propan-1-ol; hydrate

Systemtic Name: ethanedioic acid; 2-methyl-3-(phenethylamino)-1,1-diphenyl-propan-1-ol; hydrate Openeye Name: 2-methyl-3-(phenethylamino)-1,1-diphenyl-propan-1-ol; oxalic acid; hydrate CAS Name: 2-methyl-3-(phenethylamino)-1,1-diphenyl-1-propanol; oxalic acid; hydrate IUPAC Name: 2-methyl-3-(phenethylamino)-1,1-diphenylpropan-1-ol; oxalic acid; hydrate Traditional Name: 2-methyl-3-(phenethylamino)-1,1-diphenyl-propan-1-ol; oxalic acid; hydrate Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCC1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC(CNCCC1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C24H27NO.C2H2O4.H2O/c1-20(19-25-18-17-21-11-5-2-6-12-21)24(26,22-13-7-3-8-14-22)23-15-9-4-10-16-23;3-1(4)2(5)6;/h2-16,20,25-26H,17-19H2,1H3;(H,3,4)(H,5,6);1H2