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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3C4=NC=CC=N4

InChI

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