3-[5-(3,4-dimethylphenyl)pentoxy]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: 3-[5-(3,4-dimethylphenyl)pentoxy]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 4-benzyloxy-2-tert-butoxycarbonyloxy-3-[5-(3,4-dimethylphenyl)pentoxy]-4-oxo-butanoic acid CAS Name: 3-[5-(3,4-dimethylphenyl)pentoxy]-2-[(2-methylpropan-2-yl)oxy-oxomethoxy]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 3-[5-(3,4-dimethylphenyl)pentoxy]-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: 4-benzoxy-2-tert-butoxycarbonyloxy-3-[5-(3,4-dimethylphenyl)pentoxy]-4-keto-butyric acid Formula: C29H38O8 MolecularWeight: 514.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCCOC(C(C(=O)O)OC(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCCOC(C(C(=O)O)OC(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C29H38O8/c1-20-15-16-22(18-21(20)2)12-10-7-11-17-34-25(27(32)35-19-23-13-8-6-9-14-23)24(26(30)31)36-28(33)37-29(3,4)5/h6,8-9,13-16,18,24-25H,7,10-12,17,19H2,1-5H3,(H,30,31)