3-[[3-(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-benzyloxy-3-chloro-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-benzoxy-3-chloro-5-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C25H19ClN2O5 MolecularWeight: 462.88176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C25H19ClN2O5/c1-32-22-12-17(11-21(26)23(22)33-15-16-6-3-2-4-7-16)10-19(14-27)24(29)28-20-9-5-8-18(13-20)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)