ethyl 2-[3-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[3-[1-(4-bromophenyl)carbonyl-4-oxidanyl-piperidin-4-yl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[3-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[3-[1-[(4-bromophenyl)-oxomethyl]-4-hydroxy-4-piperidinyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[1-(4-bromobenzoyl)-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoate Traditional Name: 2-[3-[1-(4-bromobenzoyl)-4-hydroxy-4-piperidyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C24H28BrNO5 MolecularWeight: 490.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrNO5/c1-4-30-22(28)23(2,3)31-20-7-5-6-18(16-20)24(29)12-14-26(15-13-24)21(27)17-8-10-19(25)11-9-17/h5-11,16,29H,4,12-15H2,1-3H3