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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4

InChI

InChI=1S/C22H22N4O5/c1-14(27)25-16-6-7-17-15(11-20(28)31-19(17)12-16)13-30-21(29)18-5-2-3-10-26(18)22-23-8-4-9-24-22/h4,6-9,11-12,18H,2-3,5,10,13H2,1H3,(H,25,27)