[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; oxalic acid CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(1-piperonyl-4-piperidyl)methanone; oxalic acid Formula: C28H35N3O7 MolecularWeight: 525.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H33N3O3.C2H2O4/c1-19-4-3-5-23(20(19)2)28-12-14-29(15-13-28)26(30)22-8-10-27(11-9-22)17-21-6-7-24-25(16-21)32-18-31-24;3-1(4)2(5)6/h3-7,16,22H,8-15,17-18H2,1-2H3;(H,3,4)(H,5,6)