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

Systemtic Name: methyl 4-methyl-6-[3-(octanoylamino)phenyl]-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-(1-oxooctylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(caprylylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O4/c1-5-7-8-9-10-14-20(28)25-19-13-11-12-18(16-19)22-21(23(29)31-4)17(3)27(15-6-2)24(30)26-22/h11-13,16,22H,5-10,14-15H2,1-4H3,(H,25,28)(H,26,30)