4-[[(E)-2-cyano-3-[2-methyl-3-(phenylcarbonyl)indolizin-1-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[2-methyl-3-(phenylcarbonyl)indolizin-1-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(3-benzoyl-2-methyl-indolizin-1-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(3-benzoyl-2-methyl-1-indolizinyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(3-benzoyl-2-methylindolizin-1-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(3-benzoyl-2-methyl-indolizin-1-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C27H19N3O4 MolecularWeight: 449.45746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H19N3O4/c1-17-22(15-20(16-28)26(32)29-21-12-10-19(11-13-21)27(33)34)23-9-5-6-14-30(23)24(17)25(31)18-7-3-2-4-8-18/h2-15H,1H3,(H,29,32)(H,33,34)/b20-15+