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

Systemtic Name: ethanedioic acid; (1-propoxy-3-pyrrolidin-1-yl-propan-2-yl) N-[2-(3-heptoxyphenyl)phenyl]carbamate Openeye Name: oxalic acid; [1-(propoxymethyl)-2-pyrrolidin-1-yl-ethyl] N-[2-(3-heptoxyphenyl)phenyl]carbamate CAS Name: N-[2-(3-heptoxyphenyl)phenyl]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-(3-heptoxyphenyl)phenyl]carbamate Traditional Name: N-[2-(3-heptoxyphenyl)phenyl]carbamic acid [1-(propoxymethyl)-2-pyrrolidino-ethyl] ester; oxalic acid Formula: C32H46N2O8 MolecularWeight: 586.71624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)OC(CN3CCCC3)COCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)OC(CN3CCCC3)COCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H44N2O4.C2H2O4/c1-3-5-6-7-12-21-35-26-15-13-14-25(22-26)28-16-8-9-17-29(28)31-30(33)36-27(24-34-20-4-2)23-32-18-10-11-19-32;3-1(4)2(5)6/h8-9,13-17,22,27H,3-7,10-12,18-21,23-24H2,1-2H3,(H,31,33);(H,3,4)(H,5,6)