[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC(C2)C(=O)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC[C@H](C2)C(=O)N)Br

InChI

InChI=1S/C16H19BrN2O5/c1-23-13-5-4-10(7-12(13)17)16(22)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)/t11-/m1/s1