[5-methyl-3-(2-methylpropyl)-2-oxidanylidene-1-phenyl-hexyl] 4-methyl-2-(2-methylpropyl)pentanoate

Systemtic Name: [5-methyl-3-(2-methylpropyl)-2-oxidanylidene-1-phenyl-hexyl] 4-methyl-2-(2-methylpropyl)pentanoate Openeye Name: (3-isobutyl-5-methyl-2-oxo-1-phenyl-hexyl) 2-isobutyl-4-methyl-pentanoate CAS Name: 4-methyl-2-(2-methylpropyl)pentanoic acid [5-methyl-3-(2-methylpropyl)-2-oxo-1-phenylhexyl] ester IUPAC Name: [5-methyl-3-(2-methylpropyl)-2-oxo-1-phenylhexyl] 4-methyl-2-(2-methylpropyl)pentanoate Traditional Name: 2-isobutyl-4-methyl-valeric acid (3-isobutyl-2-keto-5-methyl-1-phenyl-hexyl) ester Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)C(=O)C(C1=CC=CC=C1)OC(=O)C(CC(C)C)CC(C)C

Isomeric SMILES

CC(C)CC(CC(C)C)C(=O)C(C1=CC=CC=C1)OC(=O)C(CC(C)C)CC(C)C

InChI

InChI=1S/C27H44O3/c1-18(2)14-23(15-19(3)4)25(28)26(22-12-10-9-11-13-22)30-27(29)24(16-20(5)6)17-21(7)8/h9-13,18-21,23-24,26H,14-17H2,1-8H3