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

Systemtic Name: ethyl 4-[(2-azanyl-3-methyl-pentanoyl)amino]-3-bromanyl-benzoate Openeye Name: ethyl 4-[(2-amino-3-methyl-pentanoyl)amino]-3-bromo-benzoate CAS Name: 4-[(2-amino-3-methyl-1-oxopentyl)amino]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-3-methylpentanoyl)amino]-3-bromobenzoate Traditional Name: 4-[(2-amino-3-methyl-pentanoyl)amino]-3-bromo-benzoic acid ethyl ester Formula: C15H21BrN2O3 MolecularWeight: 357.24284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O3/c1-4-9(3)13(17)14(19)18-12-7-6-10(8-11(12)16)15(20)21-5-2/h6-9,13H,4-5,17H2,1-3H3,(H,18,19)