(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-bromanyl-5-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C21H22BrNO4/c1-26-16-10-11-18(22)17(14-16)21(25)27-19(15-8-4-2-5-9-15)20(24)23-12-6-3-7-13-23/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3