(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4

InChI

InChI=1S/C21H21N3O5/c1-27-15-6-7-16-14(11-19(25)29-18(16)12-15)13-28-20(26)17-5-2-3-10-24(17)21-22-8-4-9-23-21/h4,6-9,11-12,17H,2-3,5,10,13H2,1H3