2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-4-methyl-pentanoic acid

Systemtic Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-4-methyl-pentanoic acid Openeye Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-4-methyl-pentanoic acid CAS Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-4-methylpentanoic acid IUPAC Name: 2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]-4-methylpentanoic acid Traditional Name: 2-carbethoxy-2-[2-(4-heptoxyphenyl)ethyl]-4-methyl-valeric acid Formula: C24H38O5 MolecularWeight: 406.55552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O5/c1-5-7-8-9-10-17-29-21-13-11-20(12-14-21)15-16-24(22(25)26,18-19(3)4)23(27)28-6-2/h11-14,19H,5-10,15-18H2,1-4H3,(H,25,26)