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

Systemtic Name: 2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxidanylidene-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 2-[(E)-2-(m-tolyl)vinyl]-4-oxo-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxo-3-propyl-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 4-keto-2-[(E)-2-(m-tolyl)vinyl]-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=CC(=CC=C3)C

Isomeric SMILES

CCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)/C=C/C3=CC(=CC=C3)C

InChI

InChI=1S/C21H20N2O3/c1-3-5-17-18(10-8-15-7-4-6-14(2)12-15)22-19-11-9-16(21(25)26)13-23(19)20(17)24/h4,6-13H,3,5H2,1-2H3,(H,25,26)/b10-8+