3-[[2-cyano-3-(4-methoxy-3-naphthalen-1-ylcarbonyloxy-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(4-methoxy-3-naphthalen-1-ylcarbonyloxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-methoxy-3-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-methoxy-3-[1-naphthalenyl(oxo)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-methoxy-3-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-methoxy-3-(1-naphthoyloxy)phenyl]acryloyl]amino]benzoic acid Formula: C29H20N2O6 MolecularWeight: 492.4789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H20N2O6/c1-36-25-13-12-18(14-21(17-30)27(32)31-22-9-4-8-20(16-22)28(33)34)15-26(25)37-29(35)24-11-5-7-19-6-2-3-10-23(19)24/h2-16H,1H3,(H,31,32)(H,33,34)