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

Systemtic Name: methyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]isonipecotic acid methyl ester Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)OC)Br

InChI

InChI=1S/C16H21BrN2O3/c1-11-9-13(3-4-14(11)17)18-15(20)10-19-7-5-12(6-8-19)16(21)22-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,20)