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

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-yl-methanone; ethanedioic acid Openeye Name: [1-[(3,4-dimethoxyphenyl)methyl]-4-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(3,4-dimethoxyphenyl)methyl]-4-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: oxalic acid; piperidino-(1-veratryl-4-piperidyl)methanone Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)N3CCCCC3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)N3CCCCC3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-24-18-7-6-16(14-19(18)25-2)15-21-12-8-17(9-13-21)20(23)22-10-4-3-5-11-22;3-1(4)2(5)6/h6-7,14,17H,3-5,8-13,15H2,1-2H3;(H,3,4)(H,5,6)