(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(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 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(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)CCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N2O4/c1-16-6-5-12-25-20(26)14-18(24-22(16)25)15-29-21(27)11-13-28-19-9-7-17(8-10-19)23(2,3)4/h5-10,12,14H,11,13,15H2,1-4H3