(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4)C

InChI

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