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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=O)N2)CCCC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=O)N2)CCCC)C)C(=O)OCC

InChI

InChI=1S/C26H39N3O4/c1-5-8-10-11-12-13-22(30)27-21-16-14-20(15-17-21)24-23(25(31)33-7-3)19(4)29(18-9-6-2)26(32)28-24/h14-17,24H,5-13,18H2,1-4H3,(H,27,30)(H,28,32)