[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; ethanedioic acid

Systemtic Name: [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; ethanedioic acid Openeye Name: [1-[(2,5-dimethoxyphenyl)methyl]-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [1-(2,5-dimethoxybenzyl)-4-piperidyl]-(4-phenylpiperazino)methanone; oxalic acid Formula: C27H35N3O7 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O3.C2H2O4/c1-30-23-8-9-24(31-2)21(18-23)19-26-12-10-20(11-13-26)25(29)28-16-14-27(15-17-28)22-6-4-3-5-7-22;3-1(4)2(5)6/h3-9,18,20H,10-17,19H2,1-2H3;(H,3,4)(H,5,6)