3-methylbutyl 4-[[6-methyl-4-oxidanylidene-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate

Systemtic Name: 3-methylbutyl 4-[[6-methyl-4-oxidanylidene-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: isopentyl 4-[[6-methyl-4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[6-methyl-4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[6-methyl-4-oxo-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-keto-6-methyl-5-(2,4,6-trimethylbenzyl)-1H-pyrimidin-2-yl]amino]benzoic acid isoamyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC2=C(NC(=NC2=O)NC3=CC=C(C=C3)C(=O)OCCC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC2=C(NC(=NC2=O)NC3=CC=C(C=C3)C(=O)OCCC(C)C)C)C

InChI

InChI=1S/C27H33N3O3/c1-16(2)11-12-33-26(32)21-7-9-22(10-8-21)29-27-28-20(6)24(25(31)30-27)15-23-18(4)13-17(3)14-19(23)5/h7-10,13-14,16H,11-12,15H2,1-6H3,(H2,28,29,30,31)