ethanedioic acid; [1-(2-ethoxyethoxy)-3-piperidin-1-yl-propan-2-yl] N-(2-hexoxyphenyl)carbamate

Systemtic Name: ethanedioic acid; [1-(2-ethoxyethoxy)-3-piperidin-1-yl-propan-2-yl] N-(2-hexoxyphenyl)carbamate Openeye Name: [1-(2-ethoxyethoxymethyl)-2-(1-piperidyl)ethyl] N-(2-hexoxyphenyl)carbamate; oxalic acid CAS Name: N-(2-hexoxyphenyl)carbamic acid [1-(2-ethoxyethoxy)-3-(1-piperidinyl)propan-2-yl] ester; oxalic acid IUPAC Name: [1-(2-ethoxyethoxy)-3-piperidin-1-ylpropan-2-yl] N-(2-hexoxyphenyl)carbamate; oxalic acid Traditional Name: N-(2-hexoxyphenyl)carbamic acid [1-(2-ethoxyethoxymethyl)-2-piperidino-ethyl] ester; oxalic acid Formula: C27H44N2O9 MolecularWeight: 540.64626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)COCCOCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)COCCOCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H42N2O5.C2H2O4/c1-3-5-6-12-17-31-24-14-9-8-13-23(24)26-25(28)32-22(21-30-19-18-29-4-2)20-27-15-10-7-11-16-27;3-1(4)2(5)6/h8-9,13-14,22H,3-7,10-12,15-21H2,1-2H3,(H,26,28);(H,3,4)(H,5,6)