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

Systemtic Name: ethyl 1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C23H27BrN2O3 MolecularWeight: 459.37608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C)Br)C3=CC=CC=C3

InChI

InChI=1S/C23H27BrN2O3/c1-3-29-22(28)23(18-7-5-4-6-8-18)11-13-26(14-12-23)16-21(27)25-19-10-9-17(2)20(24)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,27)