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

Systemtic Name: [1-(diethylamino)-3-pyrrolidin-1-yl-propan-2-yl] N-(2-heptoxyphenyl)carbamate; ethanedioic acid Openeye Name: [1-(diethylaminomethyl)-2-pyrrolidin-1-yl-ethyl] N-(2-heptoxyphenyl)carbamate; oxalic acid CAS Name: N-(2-heptoxyphenyl)carbamic acid [1-(diethylamino)-3-(1-pyrrolidinyl)propan-2-yl] ester; oxalic acid IUPAC Name: [1-(diethylamino)-3-pyrrolidin-1-ylpropan-2-yl] N-(2-heptoxyphenyl)carbamate; oxalic acid Traditional Name: N-(2-heptoxyphenyl)carbamic acid [1-(diethylaminomethyl)-2-pyrrolidino-ethyl] ester; oxalic acid Formula: C29H47N3O11 MolecularWeight: 613.69698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3O3.2C2H2O4/c1-4-7-8-9-14-19-30-24-16-11-10-15-23(24)26-25(29)31-22(20-27(5-2)6-3)21-28-17-12-13-18-28;2*3-1(4)2(5)6/h10-11,15-16,22H,4-9,12-14,17-21H2,1-3H3,(H,26,29);2*(H,3,4)(H,5,6)