butyl 4-[3-(2-chloranylpropanoylamino)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(2-chloranylpropanoylamino)propanoylamino]benzoate Openeye Name: butyl 4-[3-(2-chloropropanoylamino)propanoylamino]benzoate CAS Name: 4-[[3-[(2-chloro-1-oxopropyl)amino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-chloropropanoylamino)propanoylamino]benzoate Traditional Name: 4-[3-(2-chloropropanoylamino)propanoylamino]benzoic acid butyl ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C(C)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C(C)Cl

InChI

InChI=1S/C17H23ClN2O4/c1-3-4-11-24-17(23)13-5-7-14(8-6-13)20-15(21)9-10-19-16(22)12(2)18/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,21)