methyl 4-[(5-bromanyl-2-methyl-phenyl)amino]butanoate

Systemtic Name: methyl 4-[(5-bromanyl-2-methyl-phenyl)amino]butanoate Openeye Name: methyl 4-(5-bromo-2-methyl-anilino)butanoate CAS Name: 4-(5-bromo-2-methylanilino)butanoic acid methyl ester IUPAC Name: methyl 4-(5-bromo-2-methylanilino)butanoate Traditional Name: 4-(5-bromo-2-methyl-anilino)butyric acid methyl ester Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NCCCC(=O)OC

InChI

InChI=1S/C12H16BrNO2/c1-9-5-6-10(13)8-11(9)14-7-3-4-12(15)16-2/h5-6,8,14H,3-4,7H2,1-2H3