4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-2-(phenethylamino)butanoic acid CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-oxo-2-(phenethylamino)butanoic acid IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxo-2-(phenethylamino)butanoic acid Traditional Name: 4-keto-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-2-(phenethylamino)butyric acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC(C(=O)O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC(C(=O)O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O4/c1-16-21(22(29)27(26(16)2)18-11-7-4-8-12-18)25-20(28)15-19(23(30)31)24-14-13-17-9-5-3-6-10-17/h3-12,19,24H,13-15H2,1-2H3,(H,25,28)(H,30,31)