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

Systemtic Name: 2-[(E)-2-(3-ethoxyphenyl)ethenyl]-3-ethyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 2-[(E)-2-(3-ethoxyphenyl)vinyl]-3-ethyl-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 2-[(E)-2-(3-ethoxyphenyl)ethenyl]-3-ethyl-4-oxo-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 2-[(E)-2-(3-ethoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-ethyl-4-keto-2-[(E)-2-m-phenetylvinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=CC(=CC=C3)OCC

Isomeric SMILES

CCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)/C=C/C3=CC(=CC=C3)OCC

InChI

InChI=1S/C21H20N2O4/c1-3-17-18(10-8-14-6-5-7-16(12-14)27-4-2)22-19-11-9-15(21(25)26)13-23(19)20(17)24/h5-13H,3-4H2,1-2H3,(H,25,26)/b10-8+