2-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethylphenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethylphenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethylphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethylphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethylphenyl)methyl]ethanamine; oxalic acid Traditional Name: (2,4-dimethylbenzyl)-homopiperonyl-amine; oxalic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO2.C2H2O4/c1-13-3-5-16(14(2)9-13)11-19-8-7-15-4-6-17-18(10-15)21-12-20-17;3-1(4)2(5)6/h3-6,9-10,19H,7-8,11-12H2,1-2H3;(H,3,4)(H,5,6)