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

Systemtic Name: ethanedioic acid; 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzyl)piperazine; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-16-4-3-5-17(10-16)13-22-6-8-23(9-7-22)14-18-11-19(24-2)21-20(12-18)25-15-26-21;3-1(4)2(5)6/h3-5,10-12H,6-9,13-15H2,1-2H3;(H,3,4)(H,5,6)