2-[4-[2-[(4-chlorophenyl)carbonyl-heptyl-amino]ethyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-[(4-chlorophenyl)carbonyl-heptyl-amino]ethyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-[(4-chlorobenzoyl)-heptyl-amino]ethyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[[(4-chlorophenyl)-oxomethyl]-heptylamino]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-[(4-chlorobenzoyl)-heptylamino]ethyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[(4-chlorobenzoyl)-heptyl-amino]ethyl]phenoxy]-2-methyl-propionic acid Formula: C26H34ClNO4 MolecularWeight: 460.00546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCC1=CC=C(C=C1)OC(C)(C)C(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCN(CCC1=CC=C(C=C1)OC(C)(C)C(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C26H34ClNO4/c1-4-5-6-7-8-18-28(24(29)21-11-13-22(27)14-12-21)19-17-20-9-15-23(16-10-20)32-26(2,3)25(30)31/h9-16H,4-8,17-19H2,1-3H3,(H,30,31)