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

Systemtic Name: 3-butyl-2-[(E)-2-(2-methylphenyl)ethenyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 3-butyl-2-[(E)-2-(o-tolyl)vinyl]-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 3-butyl-2-[(E)-2-(2-methylphenyl)ethenyl]-4-oxo-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 3-butyl-2-[(E)-2-(2-methylphenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 3-butyl-4-keto-2-[(E)-2-(o-tolyl)vinyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=CC=CC=C3C

Isomeric SMILES

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)/C=C/C3=CC=CC=C3C

InChI

InChI=1S/C22H22N2O3/c1-3-4-9-18-19(12-10-16-8-6-5-7-15(16)2)23-20-13-11-17(22(26)27)14-24(20)21(18)25/h5-8,10-14H,3-4,9H2,1-2H3,(H,26,27)/b12-10+