methyl 2-chloranyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-chloranyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: methyl 5-[2-(4-tert-butoxycarbonylphenyl)ethynyl]-2-chloro-pyridine-3-carboxylate CAS Name: 2-chloro-5-[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]ethynyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-chloro-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 5-[2-(4-tert-butoxycarbonylphenyl)ethynyl]-2-chloro-nicotinic acid methyl ester Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(N=C2)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(N=C2)Cl)C(=O)OC

InChI

InChI=1S/C20H18ClNO4/c1-20(2,3)26-18(23)15-9-7-13(8-10-15)5-6-14-11-16(19(24)25-4)17(21)22-12-14/h7-12H,1-4H3