ethyl 4-(2-azanylbutanoylamino)-3-bromanyl-benzoate

Systemtic Name: ethyl 4-(2-azanylbutanoylamino)-3-bromanyl-benzoate Openeye Name: ethyl 4-(2-aminobutanoylamino)-3-bromo-benzoate CAS Name: 4-[(2-amino-1-oxobutyl)amino]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-aminobutanoylamino)-3-bromobenzoate Traditional Name: 4-(2-aminobutanoylamino)-3-bromo-benzoic acid ethyl ester Formula: C13H17BrN2O3 MolecularWeight: 329.18968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)C(=O)OCC)Br)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)C(=O)OCC)Br)N

InChI

InChI=1S/C13H17BrN2O3/c1-3-10(15)12(17)16-11-6-5-8(7-9(11)14)13(18)19-4-2/h5-7,10H,3-4,15H2,1-2H3,(H,16,17)