2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-(phenylmethyl)butanoic acid

Systemtic Name: 2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-2-ethoxycarbonyl-4-(4-heptoxyphenyl)butanoic acid CAS Name: 2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-2-ethoxycarbonyl-4-(4-heptoxyphenyl)butanoic acid Traditional Name: 2-benzyl-2-carbethoxy-4-(4-heptoxyphenyl)butyric acid Formula: C27H36O5 MolecularWeight: 440.57174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CC2=CC=CC=C2)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CC2=CC=CC=C2)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C27H36O5/c1-3-5-6-7-11-20-32-24-16-14-22(15-17-24)18-19-27(25(28)29,26(30)31-4-2)21-23-12-9-8-10-13-23/h8-10,12-17H,3-7,11,18-21H2,1-2H3,(H,28,29)