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

Systemtic Name: 2-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[(4-chloroanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[(4-chlorophenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[(4-chlorophenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C25H33ClN2O4/c1-4-5-6-7-8-17-28(24(31)27-21-13-11-20(26)12-14-21)18-19-9-15-22(16-10-19)32-25(2,3)23(29)30/h9-16H,4-8,17-18H2,1-3H3,(H,27,31)(H,29,30)