ethyl 6-[3-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN3O4/c1-5-15-31-23(18-11-8-7-9-12-18)21(24(32)35-6-2)22(30-26(31)34)19-13-10-14-20(16-19)29-25(33)27(3,4)17-28/h7-14,16,22H,5-6,15,17H2,1-4H3,(H,29,33)(H,30,34)