2-[[(E)-2-cyano-3-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(2-keto-2-piperidino-ethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OCC(=O)N3CCCCC3

InChI

InChI=1S/C26H27N3O6/c1-2-34-23-15-18(10-11-22(23)35-17-24(30)29-12-6-3-7-13-29)14-19(16-27)25(31)28-21-9-5-4-8-20(21)26(32)33/h4-5,8-11,14-15H,2-3,6-7,12-13,17H2,1H3,(H,28,31)(H,32,33)/b19-14+