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

Systemtic Name: ethyl 6-[3-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(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-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[3-(pivaloylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c1-6-16-30-23(18-12-9-8-10-13-18)21(24(31)34-7-2)22(29-26(30)33)19-14-11-15-20(17-19)28-25(32)27(3,4)5/h8-15,17,22H,6-7,16H2,1-5H3,(H,28,32)(H,29,33)