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

Systemtic Name: methyl 3-butyl-4-methyl-6-[3-(octanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-(1-oxooctylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(caprylylamino)phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O4/c1-5-7-9-10-11-15-21(29)26-20-14-12-13-19(17-20)23-22(24(30)32-4)18(3)28(16-8-6-2)25(31)27-23/h12-14,17,23H,5-11,15-16H2,1-4H3,(H,26,29)(H,27,31)