2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-cyano-1,3-dioxo-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-cyano-3-keto-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]-3-phenyl-propionic acid Formula: C29H22N4O4 MolecularWeight: 490.50938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H22N4O4/c30-17-23(28(35)31-24(29(36)37)15-18-9-3-1-4-10-18)27(34)25-22-16-19-11-7-8-14-21(19)26(22)33(32-25)20-12-5-2-6-13-20/h1-14,23-24H,15-16H2,(H,31,35)(H,36,37)