3-butyl-4-oxidanylidene-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid

Systemtic Name: 3-butyl-4-oxidanylidene-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-butyl-4-oxo-2-[(E)-styryl]pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-butyl-4-oxo-2-[(E)-2-phenylethenyl]-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-butyl-4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-butyl-4-keto-2-[(E)-styryl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-2-3-9-17-18(12-10-15-7-5-4-6-8-15)22-19-13-11-16(21(25)26)14-23(19)20(17)24/h4-8,10-14H,2-3,9H2,1H3,(H,25,26)/b12-10+