(3-butanoyloxy-5-chloranyl-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (3-butanoyloxy-5-chloranyl-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (3-butanoyloxy-5-chloro-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [3-chloro-5-(1-oxobutoxy)phenyl] ester IUPAC Name: (3-butanoyloxy-5-chlorophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (3-butyryloxy-5-chloro-phenyl) ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)Cl

Isomeric SMILES

CCCC(=O)OC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)Cl

InChI

InChI=1S/C21H22ClNO5/c1-4-5-19(24)27-17-10-15(22)11-18(12-17)28-21(26)14-6-8-16(9-7-14)23-20(25)13(2)3/h6-13H,4-5H2,1-3H3,(H,23,25)