3-[[2-cyano-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2,5-dimethoxy-4-pyrrolidino-phenyl)acryloyl]amino]benzoic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC)N3CCCC3

InChI

InChI=1S/C23H23N3O5/c1-30-20-13-19(26-8-3-4-9-26)21(31-2)12-16(20)10-17(14-24)22(27)25-18-7-5-6-15(11-18)23(28)29/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,25,27)(H,28,29)