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

Systemtic Name: 2-[2-(2-methylphenyl)ethyl]-4-oxidanylidene-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 2-[2-(o-tolyl)ethyl]-4-oxo-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 2-[2-(2-methylphenyl)ethyl]-4-oxo-3-propyl-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 2-[2-(2-methylphenyl)ethyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 4-keto-2-[2-(o-tolyl)ethyl]-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)CCC3=CC=CC=C3C

Isomeric SMILES

CCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)CCC3=CC=CC=C3C

InChI

InChI=1S/C21H22N2O3/c1-3-6-17-18(11-9-15-8-5-4-7-14(15)2)22-19-12-10-16(21(25)26)13-23(19)20(17)24/h4-5,7-8,10,12-13H,3,6,9,11H2,1-2H3,(H,25,26)