2-[[(E)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[2-(1-naphthylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[2-(1-naphthalenylmethoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[2-(1-naphthylmethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C28H20N2O4 MolecularWeight: 448.4694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC3=CC=CC=C3C=C(C#N)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC3=CC=CC=C3/C=C(\C#N)/C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H20N2O4/c29-17-22(27(31)30-25-14-5-4-13-24(25)28(32)33)16-20-9-2-6-15-26(20)34-18-21-11-7-10-19-8-1-3-12-23(19)21/h1-16H,18H2,(H,30,31)(H,32,33)/b22-16+