3-[4-[2-[cyclopentylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[cyclopentylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[cyclopentylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[cyclopentylmethyl-[(4-methyl-3-nitrophenoxy)-oxomethyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[cyclopentylmethyl-(4-methyl-3-nitrophenoxy)carbonylamino]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[cyclopentylmethyl-(4-methyl-3-nitro-phenoxy)carbonyl-amino]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C27H34N2O8 MolecularWeight: 514.56746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN(CC2CCCC2)C(=O)OC3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN(CC2CCCC2)C(=O)OC3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H34N2O8/c1-3-35-25(26(30)31)16-20-9-12-22(13-10-20)36-15-14-28(18-21-6-4-5-7-21)27(32)37-23-11-8-19(2)24(17-23)29(33)34/h8-13,17,21,25H,3-7,14-16,18H2,1-2H3,(H,30,31)