methyl 1-[2-[(3-bromophenyl)carbonylamino]ethanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-bromophenyl)carbonylamino]ethanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3-bromobenzoyl)amino]acetyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-bromobenzoyl)amino]acetyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[(3-bromobenzoyl)amino]acetyl]-4-phenyl-isonipecotic acid methyl ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CNC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CNC(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H23BrN2O4/c1-29-21(28)22(17-7-3-2-4-8-17)10-12-25(13-11-22)19(26)15-24-20(27)16-6-5-9-18(23)14-16/h2-9,14H,10-13,15H2,1H3,(H,24,27)