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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(2-ethoxyphenyl)methyl]-4-piperidyl]methanone; oxalic acid CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-[(2-ethoxyphenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: [1-(2-ethoxybenzyl)-4-piperidyl]-(4-piperonylpiperazino)methanone; oxalic acid Formula: C29H37N3O8 MolecularWeight: 555.61938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H35N3O4.C2H2O4/c1-2-32-24-6-4-3-5-23(24)19-28-11-9-22(10-12-28)27(31)30-15-13-29(14-16-30)18-21-7-8-25-26(17-21)34-20-33-25;3-1(4)2(5)6/h3-8,17,22H,2,9-16,18-20H2,1H3;(H,3,4)(H,5,6)