1-butyl-4-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylate

Systemtic Name: 1-butyl-4-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylate Openeye Name: 1-butyl-4-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylate CAS Name: 1-butyl-4-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylate IUPAC Name: 1-butyl-4-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2,6-dimethyl-4H-pyridine-3-carboxylate Traditional Name: 1-butyl-4-[2-(3,5-dimethylbenzyl)oxyphenyl]-2,6-dimethyl-4H-pyridine-3-carboxylate Formula: C27H32NO3- MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(C(=C1C)C(=O)[O-])C2=CC=CC=C2OCC3=CC(=CC(=C3)C)C)C

Isomeric SMILES

CCCCN1C(=CC(C(=C1C)C(=O)[O-])C2=CC=CC=C2OCC3=CC(=CC(=C3)C)C)C

InChI

InChI=1S/C27H33NO3/c1-6-7-12-28-20(4)16-24(26(21(28)5)27(29)30)23-10-8-9-11-25(23)31-17-22-14-18(2)13-19(3)15-22/h8-11,13-16,24H,6-7,12,17H2,1-5H3,(H,29,30)/p-1