5-butyl-2-(3-morpholin-4-ylpropanoylamino)benzoic acid hydrochloride

Systemtic Name: 5-butyl-2-(3-morpholin-4-ylpropanoylamino)benzoic acid hydrochloride Openeye Name: 5-butyl-2-(3-morpholinopropanoylamino)benzoic acid hydrochloride CAS Name: 5-butyl-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]benzoic acid hydrochloride IUPAC Name: 5-butyl-2-(3-morpholin-4-ylpropanoylamino)benzoic acid hydrochloride Traditional Name: 5-butyl-2-(3-morpholinopropanoylamino)benzoic acid hydrochloride Formula: C18H27ClN2O4 MolecularWeight: 370.87098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)CCN2CCOCC2)C(=O)O.Cl

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)CCN2CCOCC2)C(=O)O.Cl

InChI

InChI=1S/C18H26N2O4.ClH/c1-2-3-4-14-5-6-16(15(13-14)18(22)23)19-17(21)7-8-20-9-11-24-12-10-20;/h5-6,13H,2-4,7-12H2,1H3,(H,19,21)(H,22,23);1H