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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2C=CC(=CN2C1=O)C(=O)O)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

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