N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine; oxalic acid Traditional Name: m-anisyl(piperonyl)amine; oxalic acid Formula: C18H19NO7 MolecularWeight: 361.34596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17NO3.C2H2O4/c1-18-14-4-2-3-12(7-14)9-17-10-13-5-6-15-16(8-13)20-11-19-15;3-1(4)2(5)6/h2-8,17H,9-11H2,1H3;(H,3,4)(H,5,6)