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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C26H39N3O4/c1-8-9-13-29-18(3)22(24(31)33-7)23(28-25(29)32)19-11-10-12-20(15-19)27-21(30)14-17(2)16-26(4,5)6/h10-12,15,17,23H,8-9,13-14,16H2,1-7H3,(H,27,30)(H,28,32)