1-cyano-6-[4-methyl-1-oxidanylidene-1-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]pentan-2-yl]indolizine-3-carboxylic acid

Systemtic Name: 1-cyano-6-[4-methyl-1-oxidanylidene-1-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]pentan-2-yl]indolizine-3-carboxylic acid Openeye Name: 1-cyano-6-[1-[(3-hydroxy-3-oxo-1-phenyl-propyl)carbamoyl]-3-methyl-butyl]indolizine-3-carboxylic acid CAS Name: 1-cyano-6-[1-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]-3-indolizinecarboxylic acid IUPAC Name: 1-cyano-6-[1-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]indolizine-3-carboxylic acid Traditional Name: 1-cyano-6-[1-[(3-hydroxy-3-keto-1-phenyl-propyl)carbamoyl]-3-methyl-butyl]indolizine-3-carboxylic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN2C(=C(C=C2C(=O)O)C#N)C=C1)C(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C1=CN2C(=C(C=C2C(=O)O)C#N)C=C1)C(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O5/c1-15(2)10-19(24(31)27-20(12-23(29)30)16-6-4-3-5-7-16)17-8-9-21-18(13-26)11-22(25(32)33)28(21)14-17/h3-9,11,14-15,19-20H,10,12H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)