methyl 5-[3-(2,3-dimethylphenyl)-2-oxidanylidene-7-propan-2-yl-3H-1-benzofuran-5-yl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[3-(2,3-dimethylphenyl)-2-oxidanylidene-7-propan-2-yl-3H-1-benzofuran-5-yl]-5-methyl-hexanoate Openeye Name: methyl 5-[3-(2,3-dimethylphenyl)-7-isopropyl-2-oxo-3H-benzofuran-5-yl]-5-methyl-hexanoate CAS Name: 5-[3-(2,3-dimethylphenyl)-2-oxo-7-propan-2-yl-3H-benzofuran-5-yl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[3-(2,3-dimethylphenyl)-2-oxo-7-propan-2-yl-3H-1-benzofuran-5-yl]-5-methylhexanoate Traditional Name: 5-[3-(2,3-dimethylphenyl)-7-isopropyl-2-keto-coumaran-5-yl]-5-methyl-hexanoic acid methyl ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2C3=CC(=CC(=C3OC2=O)C(C)C)C(C)(C)CCCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1C)C2C3=CC(=CC(=C3OC2=O)C(C)C)C(C)(C)CCCC(=O)OC

InChI

InChI=1S/C27H34O4/c1-16(2)21-14-19(27(5,6)13-9-12-23(28)30-7)15-22-24(26(29)31-25(21)22)20-11-8-10-17(3)18(20)4/h8,10-11,14-16,24H,9,12-13H2,1-7H3