ethyl 4-[2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-bromophenyl)-4-hydroxy-piperidino]acetyl]amino]benzoic acid ethyl ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C22H25BrN2O4/c1-2-29-21(27)16-3-9-19(10-4-16)24-20(26)15-25-13-11-22(28,12-14-25)17-5-7-18(23)8-6-17/h3-10,28H,2,11-15H2,1H3,(H,24,26)