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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (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 (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H23N3O4/c1-2-16-3-5-20-19(12-23(28)31-21(20)11-16)15-30-24(29)18-7-9-27(10-8-18)22-6-4-17(13-25)14-26-22/h3-6,11-12,14,18H,2,7-10,15H2,1H3