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

Systemtic Name: ethanedioic acid; [1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3-benzyloxyphenyl)methyl]-4-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: oxalic acid; [1-[(3-phenylmethoxyphenyl)methyl]-4-piperidinyl]-(1-piperidinyl)methanone IUPAC Name: oxalic acid; [1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(3-benzoxybenzyl)-4-piperidyl]-piperidino-methanone; oxalic acid Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O2.C2H2O4/c28-25(27-14-5-2-6-15-27)23-12-16-26(17-13-23)19-22-10-7-11-24(18-22)29-20-21-8-3-1-4-9-21;3-1(4)2(5)6/h1,3-4,7-11,18,23H,2,5-6,12-17,19-20H2;(H,3,4)(H,5,6)