(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(4-tert-butylphenoxy)propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2S)-2-(4-tert-butylphenoxy)propanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2S)-2-(4-tert-butylphenoxy)propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C(C)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)[C@H](C)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N2O4/c1-15-7-6-12-25-20(26)13-18(24-21(15)25)14-28-22(27)16(2)29-19-10-8-17(9-11-19)23(3,4)5/h6-13,16H,14H2,1-5H3/t16-/m0/s1