ethanedioic acid; N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)methanamine

Systemtic Name: ethanedioic acid; N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)methanamine Openeye Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(p-tolyl)methanamine; oxalic acid CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid IUPAC Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-(4-methylbenzyl)amine; oxalic acid Formula: C19H21NO7 MolecularWeight: 375.37254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC3=C(C(=C2)OC)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC3=C(C(=C2)OC)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19NO3.C2H2O4/c1-12-3-5-13(6-4-12)9-18-10-14-7-15(19-2)17-16(8-14)20-11-21-17;3-1(4)2(5)6/h3-8,18H,9-11H2,1-2H3;(H,3,4)(H,5,6)