methyl 2-[4-[(2-butyl-6-oxidanylidene-pyridin-1-yl)methyl]phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[(2-butyl-6-oxidanylidene-pyridin-1-yl)methyl]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[(2-butyl-6-oxo-1-pyridyl)methyl]benzoyl]benzoate CAS Name: 2-[[4-[(2-butyl-6-oxo-1-pyridinyl)methyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-butyl-6-oxopyridin-1-yl)methyl]benzoyl]benzoate Traditional Name: 2-[4-[(2-butyl-6-keto-1-pyridyl)methyl]benzoyl]benzoic acid methyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=O)N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=CC=CC(=O)N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H25NO4/c1-3-4-8-20-9-7-12-23(27)26(20)17-18-13-15-19(16-14-18)24(28)21-10-5-6-11-22(21)25(29)30-2/h5-7,9-16H,3-4,8,17H2,1-2H3