methyl 3-[2-methanoyl-4-(2-oxidanylidenehepta-3,5-diynyl)phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate

Systemtic Name: methyl 3-[2-methanoyl-4-(2-oxidanylidenehepta-3,5-diynyl)phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate Openeye Name: methyl 3-[2-formyl-4-(2-oxohepta-3,5-diynyl)phenyl]-6-(isobutylcarbamoyl)pyridine-2-carboxylate CAS Name: 3-[2-formyl-4-(2-oxohepta-3,5-diynyl)phenyl]-6-[(2-methylpropylamino)-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-formyl-4-(2-oxohepta-3,5-diynyl)phenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate Traditional Name: 3-[2-formyl-4-(2-ketohepta-3,5-diynyl)phenyl]-6-(isobutylcarbamoyl)picolinic acid methyl ester Formula: C26H24N2O5 MolecularWeight: 444.47916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC(=O)CC1=CC(=C(C=C1)C2=C(N=C(C=C2)C(=O)NCC(C)C)C(=O)OC)C=O

Isomeric SMILES

CC#CC#CC(=O)CC1=CC(=C(C=C1)C2=C(N=C(C=C2)C(=O)NCC(C)C)C(=O)OC)C=O

InChI

InChI=1S/C26H24N2O5/c1-5-6-7-8-20(30)14-18-9-10-21(19(13-18)16-29)22-11-12-23(25(31)27-15-17(2)3)28-24(22)26(32)33-4/h9-13,16-17H,14-15H2,1-4H3,(H,27,31)