ethanedioic acid; (1-propoxy-3-pyrrolidin-1-yl-propan-2-yl) N-(3-hexoxyphenyl)carbamate

Systemtic Name: ethanedioic acid; (1-propoxy-3-pyrrolidin-1-yl-propan-2-yl) N-(3-hexoxyphenyl)carbamate Openeye Name: oxalic acid; [1-(propoxymethyl)-2-pyrrolidin-1-yl-ethyl] N-(3-hexoxyphenyl)carbamate CAS Name: N-(3-hexoxyphenyl)carbamic acid [1-propoxy-3-(1-pyrrolidinyl)propan-2-yl] ester; oxalic acid IUPAC Name: oxalic acid; (1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(3-hexoxyphenyl)carbamate Traditional Name: N-(3-hexoxyphenyl)carbamic acid [1-(propoxymethyl)-2-pyrrolidino-ethyl] ester; oxalic acid Formula: C25H40N2O8 MolecularWeight: 496.5937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCC2)COCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCC2)COCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H38N2O4.C2H2O4/c1-3-5-6-9-16-28-21-12-10-11-20(17-21)24-23(26)29-22(19-27-15-4-2)18-25-13-7-8-14-25;3-1(4)2(5)6/h10-12,17,22H,3-9,13-16,18-19H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)