ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-3-methyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-bromo-3-methylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-3-methylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)propanoyl]isonipecotic acid ethyl ester Formula: C18H25BrN2O3 MolecularWeight: 397.3067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C18H25BrN2O3/c1-4-24-18(23)14-7-9-21(10-8-14)17(22)13(3)20-15-5-6-16(19)12(2)11-15/h5-6,11,13-14,20H,4,7-10H2,1-3H3