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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-tert-butylphenoxy)butanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic 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 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C=C1

InChI

InChI=1S/C24H28N2O4/c1-17-7-12-21-25-19(14-22(27)26(21)15-17)16-30-23(28)6-5-13-29-20-10-8-18(9-11-20)24(2,3)4/h7-12,14-15H,5-6,13,16H2,1-4H3