methyl 2-[(3-bromanyl-4-chloranyl-phenyl)amino]-2-pyridin-3-yl-butanoate

Systemtic Name: methyl 2-[(3-bromanyl-4-chloranyl-phenyl)amino]-2-pyridin-3-yl-butanoate Openeye Name: methyl 2-(3-bromo-4-chloro-anilino)-2-(3-pyridyl)butanoate CAS Name: 2-(3-bromo-4-chloroanilino)-2-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-chloroanilino)-2-pyridin-3-ylbutanoate Traditional Name: 2-(3-bromo-4-chloro-anilino)-2-(3-pyridyl)butyric acid methyl ester Formula: C16H16BrClN2O2 MolecularWeight: 383.66744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=CC=C1)(C(=O)OC)NC2=CC(=C(C=C2)Cl)Br

Isomeric SMILES

CCC(C1=CN=CC=C1)(C(=O)OC)NC2=CC(=C(C=C2)Cl)Br

InChI

InChI=1S/C16H16BrClN2O2/c1-3-16(15(21)22-2,11-5-4-8-19-10-11)20-12-6-7-14(18)13(17)9-12/h4-10,20H,3H2,1-2H3