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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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