ethanedioate; ethyl 4-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethanedioate; ethyl 4-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-benzyloxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalate CAS Name: oxalate; 4-[oxo-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalate Traditional Name: 4-[1-(3-benzoxybenzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalate Formula: C29H35N3O8-2 MolecularWeight: 553.6035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C27H35N3O4.C2H2O4/c1-2-33-27(32)30-17-15-29(16-18-30)26(31)24-11-13-28(14-12-24)20-23-9-6-10-25(19-23)34-21-22-7-4-3-5-8-22;3-1(4)2(5)6/h3-10,19,24H,2,11-18,20-21H2,1H3;(H,3,4)(H,5,6)/p-2