(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4)C

InChI

InChI=1S/C22H23N3O4/c1-14-10-17-16(12-20(26)29-19(17)11-15(14)2)13-28-21(27)18-6-3-4-9-25(18)22-23-7-5-8-24-22/h5,7-8,10-12,18H,3-4,6,9,13H2,1-2H3