methyl 4-hexyl-5-phenyl-2-propan-2-yl-furan-3-carboxylate

Systemtic Name: methyl 4-hexyl-5-phenyl-2-propan-2-yl-furan-3-carboxylate Openeye Name: methyl 4-hexyl-2-isopropyl-5-phenyl-furan-3-carboxylate CAS Name: 4-hexyl-5-phenyl-2-propan-2-yl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 4-hexyl-5-phenyl-2-propan-2-ylfuran-3-carboxylate Traditional Name: 4-hexyl-2-isopropyl-5-phenyl-furan-3-carboxylic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(OC(=C1C(=O)OC)C(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=C(OC(=C1C(=O)OC)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H28O3/c1-5-6-7-11-14-17-18(21(22)23-4)19(15(2)3)24-20(17)16-12-9-8-10-13-16/h8-10,12-13,15H,5-7,11,14H2,1-4H3