4,4-diethoxy-2-ethoxycarbonyl-3-[4-methoxy-3-(5-phenylpentoxy)phenyl]butanoic acid

Systemtic Name: 4,4-diethoxy-2-ethoxycarbonyl-3-[4-methoxy-3-(5-phenylpentoxy)phenyl]butanoic acid Openeye Name: 4,4-diethoxy-2-ethoxycarbonyl-3-[4-methoxy-3-(5-phenylpentoxy)phenyl]butanoic acid CAS Name: 4,4-diethoxy-2-ethoxycarbonyl-3-[4-methoxy-3-(5-phenylpentoxy)phenyl]butanoic acid IUPAC Name: 4,4-diethoxy-2-ethoxycarbonyl-3-[4-methoxy-3-(5-phenylpentoxy)phenyl]butanoic acid Traditional Name: 2-carbethoxy-4,4-diethoxy-3-[4-methoxy-3-(5-phenylpentoxy)phenyl]butyric acid Formula: C29H40O8 MolecularWeight: 516.6231

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=CC(=C(C=C1)OC)OCCCCCC2=CC=CC=C2)C(C(=O)O)C(=O)OCC)OCC

Isomeric SMILES

CCOC(C(C1=CC(=C(C=C1)OC)OCCCCCC2=CC=CC=C2)C(C(=O)O)C(=O)OCC)OCC

InChI

InChI=1S/C29H40O8/c1-5-34-28(32)26(27(30)31)25(29(35-6-2)36-7-3)22-17-18-23(33-4)24(20-22)37-19-13-9-12-16-21-14-10-8-11-15-21/h8,10-11,14-15,17-18,20,25-26,29H,5-7,9,12-13,16,19H2,1-4H3,(H,30,31)