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

Systemtic Name: (E)-2-[3-[(phenylmethyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-(benzylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-(benzylcarbamoylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-(benzylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c29-24(30)23(14-5-4-10-19-11-7-15-26-17-19)21-12-6-13-22(16-21)28-25(31)27-18-20-8-2-1-3-9-20/h1-4,6-13,15-17,23H,5,14,18H2,(H,29,30)(H2,27,28,31)/b10-4+