(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC

InChI

InChI=1S/C22H23BrN2O5/c1-14(2)8-9-29-18-6-4-15(10-19(18)28-3)22(27)30-13-17-11-21(26)25-12-16(23)5-7-20(25)24-17/h4-7,10-12,14H,8-9,13H2,1-3H3