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

Systemtic Name: 2-[(E)-2-(3-ethoxyphenyl)ethenyl]-4-oxidanylidene-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Openeye Name: 2-[(E)-2-(3-ethoxyphenyl)vinyl]-4-oxo-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid CAS Name: 2-[(E)-2-(3-ethoxyphenyl)ethenyl]-4-oxo-3-propyl-7-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 2-[(E)-2-(3-ethoxyphenyl)ethenyl]-4-oxo-3-propylpyrido[1,2-a]pyrimidine-7-carboxylic acid Traditional Name: 4-keto-2-[(E)-2-m-phenetylvinyl]-3-propyl-pyrido[1,2-a]pyrimidine-7-carboxylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-3-6-18-19(11-9-15-7-5-8-17(13-15)28-4-2)23-20-12-10-16(22(26)27)14-24(20)21(18)25/h5,7-14H,3-4,6H2,1-2H3,(H,26,27)/b11-9+