2-[4-[(2-ethoxycarbonylphenyl)methyl]phenyl]octanoic acid

Systemtic Name: 2-[4-[(2-ethoxycarbonylphenyl)methyl]phenyl]octanoic acid Openeye Name: 2-[4-[(2-ethoxycarbonylphenyl)methyl]phenyl]octanoic acid CAS Name: 2-[4-[(2-ethoxycarbonylphenyl)methyl]phenyl]octanoic acid IUPAC Name: 2-[4-[(2-ethoxycarbonylphenyl)methyl]phenyl]octanoic acid Traditional Name: 2-[4-(2-carbethoxybenzyl)phenyl]caprylic acid Formula: C24H30O4 MolecularWeight: 382.4926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC)C(=O)O

Isomeric SMILES

CCCCCCC(C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC)C(=O)O

InChI

InChI=1S/C24H30O4/c1-3-5-6-7-11-21(23(25)26)19-15-13-18(14-16-19)17-20-10-8-9-12-22(20)24(27)28-4-2/h8-10,12-16,21H,3-7,11,17H2,1-2H3,(H,25,26)