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

Systemtic Name: ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C17H23BrN2O3 MolecularWeight: 383.28012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C17H23BrN2O3/c1-3-23-17(22)13-5-4-8-20(10-13)11-16(21)19-14-6-7-15(18)12(2)9-14/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,21)