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

Systemtic Name: ethyl 3-butyl-6-[3-(2-chloranylpropanoylamino)phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-(2-chloropropanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(2-chloro-1-oxopropyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-(2-chloropropanoylamino)phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(2-chloropropanoylamino)phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H30ClN3O4 MolecularWeight: 483.9871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O4/c1-4-6-15-30-23(18-11-8-7-9-12-18)21(25(32)34-5-2)22(29-26(30)33)19-13-10-14-20(16-19)28-24(31)17(3)27/h7-14,16-17,22H,4-6,15H2,1-3H3,(H,28,31)(H,29,33)