[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: [1-[(2,3-dimethoxyphenyl)methyl]-4-piperidyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; oxalic acid CAS Name: [1-[(2,3-dimethoxyphenyl)methyl]-4-piperidinyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(1-o-veratryl-4-piperidyl)methanone; oxalic acid Formula: C29H39N3O7 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3.C2H2O4/c1-20-7-5-9-24(21(20)2)29-15-17-30(18-16-29)27(31)22-11-13-28(14-12-22)19-23-8-6-10-25(32-3)26(23)33-4;3-1(4)2(5)6/h5-10,22H,11-19H2,1-4H3;(H,3,4)(H,5,6)