(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)Cl

InChI

InChI=1S/C24H22ClN3O4/c1-2-16-9-21-19(11-20(16)25)18(10-23(29)32-21)14-31-24(30)17-5-7-28(8-6-17)22-4-3-15(12-26)13-27-22/h3-4,9-11,13,17H,2,5-8,14H2,1H3