4-(4-bromophenyl)-4-oxidanyl-N-[3-(2-phenoxypropanoylamino)phenyl]piperidine-1-carboxamide

Systemtic Name: 4-(4-bromophenyl)-4-oxidanyl-N-[3-(2-phenoxypropanoylamino)phenyl]piperidine-1-carboxamide Openeye Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(2-phenoxypropanoylamino)phenyl]piperidine-1-carboxamide CAS Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-[(1-oxo-2-phenoxypropyl)amino]phenyl]-1-piperidinecarboxamide IUPAC Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(2-phenoxypropanoylamino)phenyl]piperidine-1-carboxamide Traditional Name: 4-(4-bromophenyl)-4-hydroxy-N-[3-(2-phenoxypropanoylamino)phenyl]piperidine-1-carboxamide Formula: C27H28BrN3O4 MolecularWeight: 538.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)NC(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)NC(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28BrN3O4/c1-19(35-24-8-3-2-4-9-24)25(32)29-22-6-5-7-23(18-22)30-26(33)31-16-14-27(34,15-17-31)20-10-12-21(28)13-11-20/h2-13,18-19,34H,14-17H2,1H3,(H,29,32)(H,30,33)