(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)C

InChI

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