phenyl 2,3-dimethyl-5-[[3-(2-methylpropyl)phenoxy]methyl]benzoate

Systemtic Name: phenyl 2,3-dimethyl-5-[[3-(2-methylpropyl)phenoxy]methyl]benzoate Openeye Name: phenyl 5-[(3-isobutylphenoxy)methyl]-2,3-dimethyl-benzoate CAS Name: 2,3-dimethyl-5-[[3-(2-methylpropyl)phenoxy]methyl]benzoic acid phenyl ester IUPAC Name: phenyl 2,3-dimethyl-5-[[3-(2-methylpropyl)phenoxy]methyl]benzoate Traditional Name: 5-[(3-isobutylphenoxy)methyl]-2,3-dimethyl-benzoic acid phenyl ester Formula: C26H28O3 MolecularWeight: 388.49872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)COC2=CC=CC(=C2)CC(C)C)C(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)COC2=CC=CC(=C2)CC(C)C)C(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C26H28O3/c1-18(2)13-21-9-8-12-24(15-21)28-17-22-14-19(3)20(4)25(16-22)26(27)29-23-10-6-5-7-11-23/h5-12,14-16,18H,13,17H2,1-4H3