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

Systemtic Name: ethanedioic acid; (1-propoxy-3-pyrrolidin-1-yl-propan-2-yl) N-(2-heptoxyphenyl)carbamate Openeye Name: oxalic acid; [1-(propoxymethyl)-2-pyrrolidin-1-yl-ethyl] N-(2-heptoxyphenyl)carbamate CAS Name: N-(2-heptoxyphenyl)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-(2-heptoxyphenyl)carbamate Traditional Name: N-(2-heptoxyphenyl)carbamic acid [1-(propoxymethyl)-2-pyrrolidino-ethyl] ester; oxalic acid Formula: C26H42N2O8 MolecularWeight: 510.62028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCC2)COCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCC2)COCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H40N2O4.C2H2O4/c1-3-5-6-7-12-18-29-23-14-9-8-13-22(23)25-24(27)30-21(20-28-17-4-2)19-26-15-10-11-16-26;3-1(4)2(5)6/h8-9,13-14,21H,3-7,10-12,15-20H2,1-2H3,(H,25,27);(H,3,4)(H,5,6)