4-[1-(diethylamino)hexan-2-yloxycarbonylamino]benzoic acid

Systemtic Name: 4-[1-(diethylamino)hexan-2-yloxycarbonylamino]benzoic acid Openeye Name: 4-[1-(diethylaminomethyl)pentoxycarbonylamino]benzoic acid CAS Name: 4-[[1-(diethylamino)hexan-2-yloxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[1-(diethylamino)hexan-2-yloxycarbonylamino]benzoic acid Traditional Name: 4-[1-(diethylaminomethyl)pentoxycarbonylamino]benzoic acid Formula: C18H28N2O4 MolecularWeight: 336.42592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN(CC)CC)OC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC(CN(CC)CC)OC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H28N2O4/c1-4-7-8-16(13-20(5-2)6-3)24-18(23)19-15-11-9-14(10-12-15)17(21)22/h9-12,16H,4-8,13H2,1-3H3,(H,19,23)(H,21,22)