octyl 3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate

Systemtic Name: octyl 3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: octyl 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid octyl ester IUPAC Name: octyl 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(2-benzyl-4-hydroxy-6-keto-1H-pyrimidin-5-yl)propionic acid octyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCOC(=O)CCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C22H30N2O4/c1-2-3-4-5-6-10-15-28-20(25)14-13-18-21(26)23-19(24-22(18)27)16-17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3,(H2,23,24,26,27)