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

Systemtic Name: ethyl 6-[3-(hexanoylamino)phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(hexanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-6-[3-(1-oxohexylamino)phenyl]-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(hexanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(caproylamino)phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H35N3O4/c1-4-7-9-17-23(32)29-22-16-12-15-21(19-22)25-24(27(33)35-6-3)26(20-13-10-8-11-14-20)31(18-5-2)28(34)30-25/h8,10-16,19,25H,4-7,9,17-18H2,1-3H3,(H,29,32)(H,30,34)