[6-oxidanylidene-2-phenethyl-5-(1-phenylpropyl)-2-propyl-oxan-4-yl] 2,2-dimethylbutanoate

Systemtic Name: [6-oxidanylidene-2-phenethyl-5-(1-phenylpropyl)-2-propyl-oxan-4-yl] 2,2-dimethylbutanoate Openeye Name: [6-oxo-2-phenethyl-5-(1-phenylpropyl)-2-propyl-tetrahydropyran-4-yl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [6-oxo-2-phenethyl-5-(1-phenylpropyl)-2-propyl-4-oxanyl] ester IUPAC Name: [6-oxo-2-phenethyl-5-(1-phenylpropyl)-2-propyloxan-4-yl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [6-keto-2-phenethyl-5-(1-phenylpropyl)-2-propyl-tetrahydropyran-4-yl] ester Formula: C31H42O4 MolecularWeight: 478.66278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(C(C(=O)O1)C(CC)C2=CC=CC=C2)OC(=O)C(C)(C)CC)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(C(C(=O)O1)C(CC)C2=CC=CC=C2)OC(=O)C(C)(C)CC)CCC3=CC=CC=C3

InChI

InChI=1S/C31H42O4/c1-6-20-31(21-19-23-15-11-9-12-16-23)22-26(34-29(33)30(4,5)8-3)27(28(32)35-31)25(7-2)24-17-13-10-14-18-24/h9-18,25-27H,6-8,19-22H2,1-5H3