methyl 3-butyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-butyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-(1-oxononylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-(pelargonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCCC)C)C(=O)OC

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCCC)C)C(=O)OC

InChI

InChI=1S/C26H39N3O4/c1-5-7-9-10-11-12-16-22(30)27-21-15-13-14-20(18-21)24-23(25(31)33-4)19(3)29(17-8-6-2)26(32)28-24/h13-15,18,24H,5-12,16-17H2,1-4H3,(H,27,30)(H,28,32)