2-[4-[1-(4-bromophenyl)carbonyl-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[1-(4-bromophenyl)carbonyl-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[1-(4-bromobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[1-[(4-bromophenyl)-oxomethyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[1-(4-bromobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[1-(4-bromobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methyl-propionic acid Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO4/c1-22(2,21(26)27)28-19-9-5-15(6-10-19)16-11-13-24(14-12-16)20(25)17-3-7-18(23)8-4-17/h3-11H,12-14H2,1-2H3,(H,26,27)