2-[[(E)-3-[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[3-bromo-4-(1-naphthylmethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[3-bromo-4-(1-naphthalenylmethoxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[3-bromo-4-(1-naphthylmethoxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C28H19BrN2O4 MolecularWeight: 527.36546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19BrN2O4/c29-24-15-18(14-21(16-30)27(32)31-25-11-4-3-10-23(25)28(33)34)12-13-26(24)35-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15H,17H2,(H,31,32)(H,33,34)/b21-14+