ethyl 7-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-3,4-dihydro-2H-chromene-2-carboxylate

Systemtic Name: ethyl 7-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: ethyl 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]chromane-2-carboxylate CAS Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-3,4-dihydro-2H-chromene-2-carboxylate Traditional Name: 7-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]chroman-2-carboxylic acid ethyl ester Formula: C28H36O7 MolecularWeight: 484.58124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(O1)C=C(C=C2)OCCCCOC3=C(C(=C(C=C3)C(=O)CC(C)C)O)C

Isomeric SMILES

CCOC(=O)C1CCC2=C(O1)C=C(C=C2)OCCCCOC3=C(C(=C(C=C3)C(=O)CC(C)C)O)C

InChI

InChI=1S/C28H36O7/c1-5-32-28(31)25-12-9-20-8-10-21(17-26(20)35-25)33-14-6-7-15-34-24-13-11-22(27(30)19(24)4)23(29)16-18(2)3/h8,10-11,13,17-18,25,30H,5-7,9,12,14-16H2,1-4H3