pentyl 4-[2-(butylamino)ethanoylamino]benzoate chloride

Systemtic Name: pentyl 4-[2-(butylamino)ethanoylamino]benzoate chloride Openeye Name: pentyl 4-[[2-(butylamino)acetyl]amino]benzoate chloride CAS Name: 4-[[2-(butylamino)-1-oxoethyl]amino]benzoic acid pentyl ester chloride IUPAC Name: pentyl 4-[[2-(butylamino)acetyl]amino]benzoate chloride Traditional Name: 4-[[2-(butylamino)acetyl]amino]benzoic acid amyl ester chloride Formula: C18H28ClN2O3- MolecularWeight: 355.87952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CNCCCC.[Cl-]

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CNCCCC.[Cl-]

InChI

InChI=1S/C18H28N2O3.ClH/c1-3-5-7-13-23-18(22)15-8-10-16(11-9-15)20-17(21)14-19-12-6-4-2;/h8-11,19H,3-7,12-14H2,1-2H3,(H,20,21);1H/p-1