4-[1-(diethylamino)octan-3-yloxycarbonylamino]benzoic acid hydrochloride

Systemtic Name: 4-[1-(diethylamino)octan-3-yloxycarbonylamino]benzoic acid hydrochloride Openeye Name: 4-[1-(2-diethylaminoethyl)hexoxycarbonylamino]benzoic acid hydrochloride CAS Name: 4-[[1-(diethylamino)octan-3-yloxy-oxomethyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[1-(diethylamino)octan-3-yloxycarbonylamino]benzoic acid hydrochloride Traditional Name: 4-[1-(2-diethylaminoethyl)hexoxycarbonylamino]benzoic acid hydrochloride Formula: C20H33ClN2O4 MolecularWeight: 400.94002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN(CC)CC)OC(=O)NC1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CCCCCC(CCN(CC)CC)OC(=O)NC1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C20H32N2O4.ClH/c1-4-7-8-9-18(14-15-22(5-2)6-3)26-20(25)21-17-12-10-16(11-13-17)19(23)24;/h10-13,18H,4-9,14-15H2,1-3H3,(H,21,25)(H,23,24);1H