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

Systemtic Name: ethyl 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-bromoanilino)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(3-bromoanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O3/c1-2-28-21(27)22(17-7-4-3-5-8-17)11-13-25(14-12-22)16-20(26)24-19-10-6-9-18(23)15-19/h3-10,15H,2,11-14,16H2,1H3,(H,24,26)