(E)-2-[3-(3-phenylpropanoylamino)phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[3-(3-phenylpropanoylamino)phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-(3-phenylpropanoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-(3-phenylpropanoylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-(hydrocinnamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(CC/C=C/C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C26H26N2O3/c29-25(16-15-20-8-2-1-3-9-20)28-23-13-6-12-22(18-23)24(26(30)31)14-5-4-10-21-11-7-17-27-19-21/h1-4,6-13,17-19,24H,5,14-16H2,(H,28,29)(H,30,31)/b10-4+