3-ethyl-4-oxidanylidene-2-[(E)-2-(2-propoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid

Systemtic Name: 3-ethyl-4-oxidanylidene-2-[(E)-2-(2-propoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-ethyl-4-oxo-2-[(E)-2-(2-propoxyphenyl)vinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-ethyl-4-oxo-2-[(E)-2-(2-propoxyphenyl)ethenyl]-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-ethyl-4-oxo-2-[(E)-2-(2-propoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-ethyl-4-keto-2-[(E)-2-(2-propoxyphenyl)vinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC2=C(C(=O)N3C=C(C=CC3=N2)C(=O)O)CC

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C/C2=C(C(=O)N3C=C(C=CC3=N2)C(=O)O)CC

InChI

InChI=1S/C22H22N2O4/c1-3-13-28-19-8-6-5-7-15(19)9-11-18-17(4-2)21(25)24-14-16(22(26)27)10-12-20(24)23-18/h5-12,14H,3-4,13H2,1-2H3,(H,26,27)/b11-9+