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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-3-propyl-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-3-propyl-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-4-phenyl-3-propyl-6-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-3-propyl-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-3-propyl-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C31H41N3O4/c1-7-18-34-28(23-12-10-9-11-13-23)26(29(36)38-8-2)27(33-30(34)37)22-14-16-24(17-15-22)32-25(35)19-21(3)20-31(4,5)6/h9-17,21,27H,7-8,18-20H2,1-6H3,(H,32,35)(H,33,37)