[(1R,3R)-2,2-dimethyl-1-(4-methylphenyl)-3-oxidanyl-3-phenyl-propyl] 4-methylbenzoate

Systemtic Name: [(1R,3R)-2,2-dimethyl-1-(4-methylphenyl)-3-oxidanyl-3-phenyl-propyl] 4-methylbenzoate Openeye Name: [(1R,3R)-3-hydroxy-2,2-dimethyl-3-phenyl-1-(p-tolyl)propyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(1R,3R)-3-hydroxy-2,2-dimethyl-1-(4-methylphenyl)-3-phenylpropyl] ester IUPAC Name: [(1R,3R)-3-hydroxy-2,2-dimethyl-1-(4-methylphenyl)-3-phenylpropyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R,3R)-3-hydroxy-2,2-dimethyl-3-phenyl-1-(p-tolyl)propyl] ester Formula: C26H28O3 MolecularWeight: 388.49872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)(C)C(C2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(C)(C)[C@@H](C2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28O3/c1-18-10-14-21(15-11-18)24(29-25(28)22-16-12-19(2)13-17-22)26(3,4)23(27)20-8-6-5-7-9-20/h5-17,23-24,27H,1-4H3/t23-,24-/m1/s1