(E)-3-[4-(4-cyano-2-methoxy-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-cyano-2-methoxy-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(4-cyano-2-methoxy-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(4-cyano-2-methoxy-phenoxy)phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCC3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCC3CCCC3

InChI

InChI=1S/C25H26N2O5/c1-31-23-15-19(16-26)8-12-22(23)32-20-10-6-18(7-11-20)14-21(25(29)30)27-24(28)13-9-17-4-2-3-5-17/h6-8,10-12,14-15,17H,2-5,9,13H2,1H3,(H,27,28)(H,29,30)/b21-14+