methyl 4-[3-[(5-bromanylpyridin-2-yl)carbamoyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[3-[(5-bromanylpyridin-2-yl)carbamoyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[3-[(5-bromo-2-pyridyl)carbamoyl]piperidine-1-carbonyl]benzoate CAS Name: 4-[[3-[[(5-bromo-2-pyridinyl)amino]-oxomethyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(5-bromopyridin-2-yl)carbamoyl]piperidine-1-carbonyl]benzoate Traditional Name: 4-[3-[(5-bromo-2-pyridyl)carbamoyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O4/c1-28-20(27)14-6-4-13(5-7-14)19(26)24-10-2-3-15(12-24)18(25)23-17-9-8-16(21)11-22-17/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,23,25)