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

Systemtic Name: methyl 5-[3-(2,5-dimethylphenyl)-2-oxidanylidene-7-propan-2-yl-3H-1-benzofuran-5-yl]-5-methyl-hexanoate Openeye Name: methyl 5-[3-(2,5-dimethylphenyl)-7-isopropyl-2-oxo-3H-benzofuran-5-yl]-5-methyl-hexanoate CAS Name: 5-[3-(2,5-dimethylphenyl)-2-oxo-7-propan-2-yl-3H-benzofuran-5-yl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[3-(2,5-dimethylphenyl)-2-oxo-7-propan-2-yl-3H-1-benzofuran-5-yl]-5-methylhexanoate Traditional Name: 5-[3-(2,5-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(=C(C=C1)C)C2C3=CC(=CC(=C3OC2=O)C(C)C)C(C)(C)CCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C3=CC(=CC(=C3OC2=O)C(C)C)C(C)(C)CCCC(=O)OC

InChI

InChI=1S/C27H34O4/c1-16(2)20-14-19(27(5,6)12-8-9-23(28)30-7)15-22-24(26(29)31-25(20)22)21-13-17(3)10-11-18(21)4/h10-11,13-16,24H,8-9,12H2,1-7H3