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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (6-chloro-7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H20ClN3O4 MolecularWeight: 437.8756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H20ClN3O4/c1-14-8-20-18(10-19(14)24)17(9-22(28)31-20)13-30-23(29)16-4-6-27(7-5-16)21-3-2-15(11-25)12-26-21/h2-3,8-10,12,16H,4-7,13H2,1H3