4-[[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylamino]benzoic acid

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylamino]benzoic acid Openeye Name: 4-[[3-bromo-5-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methylamino]benzoic acid CAS Name: 4-[[3-bromo-5-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylamino]benzoic acid IUPAC Name: 4-[[3-bromo-5-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]benzoic acid Traditional Name: 4-[[3-bromo-4-(2-keto-2-piperidino-ethoxy)-5-methoxy-benzyl]amino]benzoic acid Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)Br)OCC(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)Br)OCC(=O)N3CCCCC3

InChI

InChI=1S/C22H25BrN2O5/c1-29-19-12-15(13-24-17-7-5-16(6-8-17)22(27)28)11-18(23)21(19)30-14-20(26)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10,13-14H2,1H3,(H,27,28)