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

Systemtic Name: ethyl 3-butyl-6-[3-[2-(4-chloranylphenoxy)ethanoylamino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H32ClN3O5 MolecularWeight: 562.05588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H32ClN3O5/c1-3-5-18-35-29(21-10-7-6-8-11-21)27(30(37)39-4-2)28(34-31(35)38)22-12-9-13-24(19-22)33-26(36)20-40-25-16-14-23(32)15-17-25/h6-17,19,28H,3-5,18,20H2,1-2H3,(H,33,36)(H,34,38)