methyl 1-[(4-tert-butylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(4-tert-butylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(4-tert-butylphenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(4-tert-butylphenyl)methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-tert-butylphenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(4-tert-butylbenzyl)-6-keto-nicotinic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-18(2,3)15-8-5-13(6-9-15)11-19-12-14(17(21)22-4)7-10-16(19)20/h5-10,12H,11H2,1-4H3