(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-pentoxybenzoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-pentoxybenzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

InChI

InChI=1S/C22H24N2O4/c1-3-4-5-13-27-19-10-8-17(9-11-19)22(26)28-15-18-14-20(25)24-12-6-7-16(2)21(24)23-18/h6-12,14H,3-5,13,15H2,1-2H3