(E)-2-cyano-3-[4-(decanoylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[4-(decanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[4-(decanoylamino)phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(1-oxodecylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[4-(decanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(caprylamino)phenyl]-2-cyano-acrylic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C=C(C#N)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C20H26N2O3/c1-2-3-4-5-6-7-8-9-19(23)22-18-12-10-16(11-13-18)14-17(15-21)20(24)25/h10-14H,2-9H2,1H3,(H,22,23)(H,24,25)/b17-14+