ethyl 4-(3-acetamidopropanoylamino)-3-bromanyl-benzoate

Systemtic Name: ethyl 4-(3-acetamidopropanoylamino)-3-bromanyl-benzoate Openeye Name: ethyl 4-(3-acetamidopropanoylamino)-3-bromo-benzoate CAS Name: 4-[(3-acetamido-1-oxopropyl)amino]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(3-acetamidopropanoylamino)-3-bromobenzoate Traditional Name: 4-(3-acetamidopropanoylamino)-3-bromo-benzoic acid ethyl ester Formula: C14H17BrN2O4 MolecularWeight: 357.19978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCNC(=O)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCNC(=O)C)Br

InChI

InChI=1S/C14H17BrN2O4/c1-3-21-14(20)10-4-5-12(11(15)8-10)17-13(19)6-7-16-9(2)18/h4-5,8H,3,6-7H2,1-2H3,(H,16,18)(H,17,19)