methyl 5-bromanyl-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-[(3S)-1-tert-butoxycarbonylpyrrolidin-3-yl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-[(3S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-1-[(3S)-1-tert-butoxycarbonylpyrrolidin-3-yl]-6-keto-nicotinic acid methyl ester Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C=C(C2=O)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)N2C=C(C=C(C2=O)Br)C(=O)OC

InChI

InChI=1S/C16H21BrN2O5/c1-16(2,3)24-15(22)18-6-5-11(9-18)19-8-10(14(21)23-4)7-12(17)13(19)20/h7-8,11H,5-6,9H2,1-4H3/t11-/m0/s1