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

Systemtic Name: 2-[4-[[(2,4-dimethoxyphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[(2,4-dimethoxyphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[(2,4-dimethoxyanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[(2,4-dimethoxyphenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[(2,4-dimethoxyphenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C27H38N2O6 MolecularWeight: 486.60042

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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=C(C=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O6/c1-6-7-8-9-10-17-29(26(32)28-23-16-15-22(33-4)18-24(23)34-5)19-20-11-13-21(14-12-20)35-27(2,3)25(30)31/h11-16,18H,6-10,17,19H2,1-5H3,(H,28,32)(H,30,31)