2-butoxycarbonyl-7-(4-methoxycarbonylphenyl)heptanoic acid

Systemtic Name: 2-butoxycarbonyl-7-(4-methoxycarbonylphenyl)heptanoic acid Openeye Name: 2-butoxycarbonyl-7-(4-methoxycarbonylphenyl)heptanoic acid CAS Name: 2-[butoxy(oxo)methyl]-7-(4-methoxycarbonylphenyl)heptanoic acid IUPAC Name: 2-butoxycarbonyl-7-(4-methoxycarbonylphenyl)heptanoic acid Traditional Name: 2-butoxycarbonyl-7-(4-carbomethoxyphenyl)enanthic acid Formula: C20H28O6 MolecularWeight: 364.43272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCCCCC1=CC=C(C=C1)C(=O)OC)C(=O)O

Isomeric SMILES

CCCCOC(=O)C(CCCCCC1=CC=C(C=C1)C(=O)OC)C(=O)O

InChI

InChI=1S/C20H28O6/c1-3-4-14-26-20(24)17(18(21)22)9-7-5-6-8-15-10-12-16(13-11-15)19(23)25-2/h10-13,17H,3-9,14H2,1-2H3,(H,21,22)