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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O3/c1-3-24-18(23)14-6-9-21(10-7-14)11-8-17(22)20-15-4-5-16(19)13(2)12-15/h4-5,12,14H,3,6-11H2,1-2H3,(H,20,22)