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

Systemtic Name: 2-[2-(3-methoxyphenyl)ethyl]-4-oxidanylidene-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 2-[2-(3-methoxyphenyl)ethyl]-4-oxo-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 2-[2-(3-methoxyphenyl)ethyl]-4-oxo-3-propyl-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 4-keto-2-[2-(3-methoxyphenyl)ethyl]-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N2O4/c1-3-5-17-18(10-8-14-6-4-7-16(12-14)27-2)22-19-11-9-15(21(25)26)13-23(19)20(17)24/h4,6-7,9,11-13H,3,5,8,10H2,1-2H3,(H,25,26)