3-[[2-cyano-3-(2-naphthalen-1-ylcarbonyloxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2-naphthalen-1-ylcarbonyloxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2-[1-naphthalenyl(oxo)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[2-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[2-(1-naphthoyloxy)phenyl]acryloyl]amino]benzoic acid Formula: C28H18N2O5 MolecularWeight: 462.45292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC=C3C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC=C3C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C28H18N2O5/c29-17-21(26(31)30-22-11-5-10-20(16-22)27(32)33)15-19-8-2-4-14-25(19)35-28(34)24-13-6-9-18-7-1-3-12-23(18)24/h1-16H,(H,30,31)(H,32,33)