(E)-3-[4-(3-cyanopyridin-2-yl)oxyphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-cyanopyridin-2-yl)oxyphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-[(3-cyano-2-pyridyl)oxy]phenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-cyanopyridin-2-yl)oxyphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-[(3-cyano-2-pyridyl)oxy]phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(C=C2)OC3=C(C=CC=N3)C#N)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)OC3=C(C=CC=N3)C#N)/C(=O)O

InChI

InChI=1S/C23H23N3O4/c24-15-18-6-3-13-25-22(18)30-19-10-7-17(8-11-19)14-20(23(28)29)26-21(27)12-9-16-4-1-2-5-16/h3,6-8,10-11,13-14,16H,1-2,4-5,9,12H2,(H,26,27)(H,28,29)/b20-14+