2-methylpropyl (6S)-6-[4-(butanoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (6S)-6-[4-(butanoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl (6S)-6-[4-(butanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-2-oxo-6-[4-(1-oxobutylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (6S)-6-[4-(butanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-butyramidophenyl)-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=O)N2)CCC)C)C(=O)OCC(C)C

InChI

InChI=1S/C23H33N3O4/c1-6-8-19(27)24-18-11-9-17(10-12-18)21-20(22(28)30-14-15(3)4)16(5)26(13-7-2)23(29)25-21/h9-12,15,21H,6-8,13-14H2,1-5H3,(H,24,27)(H,25,29)/t21-/m0/s1