4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide; ethanedioic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide; ethanedioic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide; oxalic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-1-piperazinecarboxamide; oxalic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide; oxalic acid Traditional Name: N-(2-methoxyphenyl)-4-piperonyl-piperazine-1-carboxamide; oxalic acid Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O4.C2H2O4/c1-25-17-5-3-2-4-16(17)21-20(24)23-10-8-22(9-11-23)13-15-6-7-18-19(12-15)27-14-26-18;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3,(H,21,24);(H,3,4)(H,5,6)