[5-(phenylmethyl)furan-3-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Systemtic Name: [5-(phenylmethyl)furan-3-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Openeye Name: (5-benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester IUPAC Name: (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (5-benzyl-3-furyl)methyl ester Formula: C44H52O6 MolecularWeight: 676.88008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C.CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C.CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/2C22H26O3/c2*1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h2*5-10,12-13,19-20H,11,14H2,1-4H3