(E)-3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-benzamidoethoxy)-4-(1-pyrazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]acrylic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)/C=C/C(=O)O

InChI

InChI=1S/C22H21N3O4/c26-21(27)10-9-18-8-7-17(16-25-13-4-11-24-25)15-20(18)29-14-12-23-22(28)19-5-2-1-3-6-19/h1-11,13,15H,12,14,16H2,(H,23,28)(H,26,27)/b10-9+