4-[4-(3-cyano-4-octan-2-yloxy-phenyl)carbonyloxyphenyl]benzoic acid

Systemtic Name: 4-[4-(3-cyano-4-octan-2-yloxy-phenyl)carbonyloxyphenyl]benzoic acid Openeye Name: 4-[4-[3-cyano-4-(1-methylheptoxy)benzoyl]oxyphenyl]benzoic acid CAS Name: 4-[4-[(3-cyano-4-octan-2-yloxyphenyl)-oxomethoxy]phenyl]benzoic acid IUPAC Name: 4-[4-(3-cyano-4-octan-2-yloxybenzoyl)oxyphenyl]benzoic acid Traditional Name: 4-[4-[3-cyano-4-(1-methylheptoxy)benzoyl]oxyphenyl]benzoic acid Formula: C29H29NO5 MolecularWeight: 471.54426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C29H29NO5/c1-3-4-5-6-7-20(2)34-27-17-14-24(18-25(27)19-30)29(33)35-26-15-12-22(13-16-26)21-8-10-23(11-9-21)28(31)32/h8-18,20H,3-7H2,1-2H3,(H,31,32)