phenyl 2-(4-butoxyphenyl)-5-cyano-2H-pyridine-1-carboxylate

Systemtic Name: phenyl 2-(4-butoxyphenyl)-5-cyano-2H-pyridine-1-carboxylate Openeye Name: phenyl 2-(4-butoxyphenyl)-5-cyano-2H-pyridine-1-carboxylate CAS Name: 2-(4-butoxyphenyl)-5-cyano-2H-pyridine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-(4-butoxyphenyl)-5-cyano-2H-pyridine-1-carboxylate Traditional Name: 2-(4-butoxyphenyl)-5-cyano-2H-pyridine-1-carboxylic acid phenyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C=CC(=CN2C(=O)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C=CC(=CN2C(=O)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N2O3/c1-2-3-15-27-20-12-10-19(11-13-20)22-14-9-18(16-24)17-25(22)23(26)28-21-7-5-4-6-8-21/h4-14,17,22H,2-3,15H2,1H3