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

Systemtic Name: ethyl 3-butyl-2-oxidanylidene-4-phenyl-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-4-phenyl-6-[3-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-phenyl-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C32H43N3O4 MolecularWeight: 533.70152

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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)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C32H43N3O4/c1-7-9-18-35-29(23-14-11-10-12-15-23)27(30(37)39-8-2)28(34-31(35)38)24-16-13-17-25(20-24)33-26(36)19-22(3)21-32(4,5)6/h10-17,20,22,28H,7-9,18-19,21H2,1-6H3,(H,33,36)(H,34,38)