ethanedioic acid; 3-pyrrolidin-1-ylpropyl N-(2-octoxyphenyl)carbamate

Systemtic Name: ethanedioic acid; 3-pyrrolidin-1-ylpropyl N-(2-octoxyphenyl)carbamate Openeye Name: oxalic acid; 3-pyrrolidin-1-ylpropyl N-(2-octoxyphenyl)carbamate CAS Name: N-(2-octoxyphenyl)carbamic acid 3-(1-pyrrolidinyl)propyl ester; oxalic acid IUPAC Name: oxalic acid; 3-pyrrolidin-1-ylpropyl N-(2-octoxyphenyl)carbamate Traditional Name: N-(2-octoxyphenyl)carbamic acid 3-pyrrolidinopropyl ester; oxalic acid Formula: C24H38N2O7 MolecularWeight: 466.56772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1NC(=O)OCCCN2CCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1NC(=O)OCCCN2CCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H36N2O3.C2H2O4/c1-2-3-4-5-6-11-18-26-21-14-8-7-13-20(21)23-22(25)27-19-12-17-24-15-9-10-16-24;3-1(4)2(5)6/h7-8,13-14H,2-6,9-12,15-19H2,1H3,(H,23,25);(H,3,4)(H,5,6)