ethanedioic acid; ethyl 1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 1-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-[2-(4-benzylpiperazino)-2-keto-ethyl]isonipecotic acid ethyl ester; oxalic acid Formula: C23H33N3O7 MolecularWeight: 463.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H31N3O3.C2H2O4/c1-2-27-21(26)19-8-10-22(11-9-19)17-20(25)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18;3-1(4)2(5)6/h3-7,19H,2,8-17H2,1H3;(H,3,4)(H,5,6)