methyl 3-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H21BrN2O4/c1-27-18(24)14-3-2-4-17(13-14)22-19(25)23-11-9-20(26,10-12-23)15-5-7-16(21)8-6-15/h2-8,13,26H,9-12H2,1H3,(H,22,25)