(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)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 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C=C1

InChI

InChI=1S/C27H34N2O4/c1-17-8-10-22-28-19(14-23(30)29(22)15-17)16-33-24(31)11-9-18-12-20(26(2,3)4)25(32)21(13-18)27(5,6)7/h8,10,12-15,32H,9,11,16H2,1-7H3