[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCCCC2C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCCC[C@@H]2C)Br)OC

InChI

InChI=1S/C18H24BrNO5/c1-4-24-15-10-13(9-14(19)17(15)23-3)18(22)25-11-16(21)20-8-6-5-7-12(20)2/h9-10,12H,4-8,11H2,1-3H3/t12-/m0/s1