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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(4-tert-butylphenoxy)propanoate Openeye Name: (7-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 (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-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-7-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=CN2C(=NC(=CC2=O)COC(=O)C(C)OC3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)[C@H](C)OC3=CC=C(C=C3)C(C)(C)C)C=C1

InChI

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