(2-propoxyphenyl) 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2-propoxyphenyl) 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-propoxyphenyl) 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid (2-propoxyphenyl) ester IUPAC Name: (2-propoxyphenyl) 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid (2-propoxyphenyl) ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCOC1=CC=CC=C1OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrNO4/c1-2-15-27-19-5-3-4-6-20(19)28-22(26)17-11-13-24(14-12-17)21(25)16-7-9-18(23)10-8-16/h3-10,17H,2,11-15H2,1H3