2-[[(E)-3-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[3-methoxy-4-(3-pyridylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[3-methoxy-4-(3-pyridinylmethoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[3-methoxy-4-(3-pyridylmethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCC3=CN=CC=C3

InChI

InChI=1S/C23H20N2O5/c1-29-21-13-16(8-10-20(21)30-15-17-5-4-12-24-14-17)9-11-22(26)25-19-7-3-2-6-18(19)23(27)28/h2-14H,15H2,1H3,(H,25,26)(H,27,28)/b11-9+