3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-1,1-diphenyl-propan-1-ol; ethanedioic acid; hydrate

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-1,1-diphenyl-propan-1-ol; ethanedioic acid; hydrate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-1,1-diphenyl-propan-1-ol; oxalic acid; hydrate CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methyl-1,1-diphenyl-1-propanol; oxalic acid; hydrate IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methyl-1,1-diphenylpropan-1-ol; oxalic acid; hydrate Traditional Name: 3-[homoveratryl(methyl)amino]-2-methyl-1,1-diphenyl-propan-1-ol; oxalic acid; hydrate Formula: C29H37NO8 MolecularWeight: 527.60598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO3.C2H2O4.H2O/c1-21(20-28(2)18-17-22-15-16-25(30-3)26(19-22)31-4)27(29,23-11-7-5-8-12-23)24-13-9-6-10-14-24;3-1(4)2(5)6;/h5-16,19,21,29H,17-18,20H2,1-4H3;(H,3,4)(H,5,6);1H2