ethyl 4-[(2-azanyl-3-methyl-butanoyl)amino]-3-bromanyl-benzoate

Systemtic Name: ethyl 4-[(2-azanyl-3-methyl-butanoyl)amino]-3-bromanyl-benzoate Openeye Name: ethyl 4-[(2-amino-3-methyl-butanoyl)amino]-3-bromo-benzoate CAS Name: 4-[(2-amino-3-methyl-1-oxobutyl)amino]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-3-methylbutanoyl)amino]-3-bromobenzoate Traditional Name: 4-[(2-amino-3-methyl-butanoyl)amino]-3-bromo-benzoic acid ethyl ester Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O3/c1-4-20-14(19)9-5-6-11(10(15)7-9)17-13(18)12(16)8(2)3/h5-8,12H,4,16H2,1-3H3,(H,17,18)