[2-(6-cyano-2,2-dimethyl-chromen-4-yl)phenyl]methyl pyridine-3-carboxylate

Systemtic Name: [2-(6-cyano-2,2-dimethyl-chromen-4-yl)phenyl]methyl pyridine-3-carboxylate Openeye Name: [2-(6-cyano-2,2-dimethyl-chromen-4-yl)phenyl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(6-cyano-2,2-dimethyl-1-benzopyran-4-yl)phenyl]methyl ester IUPAC Name: [2-(6-cyano-2,2-dimethylchromen-4-yl)phenyl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(6-cyano-2,2-dimethyl-chromen-4-yl)benzyl] ester Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=C3COC(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=C3COC(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C25H20N2O3/c1-25(2)13-22(21-12-17(14-26)9-10-23(21)30-25)20-8-4-3-6-19(20)16-29-24(28)18-7-5-11-27-15-18/h3-13,15H,16H2,1-2H3