N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,4-diphenyl-but-3-en-1-amine; ethanedioate

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,4-diphenyl-but-3-en-1-amine; ethanedioate Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,4-diphenyl-but-3-en-1-amine; oxalate CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,4-diphenyl-3-buten-1-amine; oxalate IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4,4-diphenylbut-3-en-1-amine; oxalate Traditional Name: 4,4-diphenylbut-3-enyl-homoveratryl-methyl-amine; oxalate Formula: C29H31NO6-2 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC=C(C1=CC=CC=C1)C2=CC=CC=C2)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(CCC=C(C1=CC=CC=C1)C2=CC=CC=C2)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C27H31NO2.C2H2O4/c1-28(20-18-22-16-17-26(29-2)27(21-22)30-3)19-10-15-25(23-11-6-4-7-12-23)24-13-8-5-9-14-24;3-1(4)2(5)6/h4-9,11-17,21H,10,18-20H2,1-3H3;(H,3,4)(H,5,6)/p-2