methyl 3-butyl-6-[3-[(4-hexylphenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-butyl-6-[3-[(4-hexylphenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCCC)C)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCCC)C)C(=O)OC

InChI

InChI=1S/C30H39N3O4/c1-5-7-9-10-12-22-15-17-23(18-16-22)28(34)31-25-14-11-13-24(20-25)27-26(29(35)37-4)21(3)33(19-8-6-2)30(36)32-27/h11,13-18,20,27H,5-10,12,19H2,1-4H3,(H,31,34)(H,32,36)