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

Systemtic Name: (E)-2-[3-(phenylcarbonylcarbamoylamino)phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-(benzoylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[benzamido(oxo)methyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-(benzoylcarbamoylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-(benzoylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4/c29-23(19-10-2-1-3-11-19)28-25(32)27-21-13-6-12-20(16-21)22(24(30)31)14-5-4-8-18-9-7-15-26-17-18/h1-4,6-13,15-17,22H,5,14H2,(H,30,31)(H2,27,28,29,32)/b8-4+