methyl 4-[2-(3-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[2-(3-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 3-bromo-4-[2-(3-carbamoyl-1-piperidyl)-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-(3-carbamoyl-1-piperidinyl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-(3-carbamoylpiperidino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC(C2)C(=O)N)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC(C2)C(=O)N)Br

InChI

InChI=1S/C16H19BrN2O5/c1-23-16(22)10-4-5-13(12(17)7-10)24-9-14(20)19-6-2-3-11(8-19)15(18)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,21)