2-[4-(5-azanyl-3-oxidanylidene-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methyl-butanoic acid

Systemtic Name: 2-[4-(5-azanyl-3-oxidanylidene-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methyl-butanoic acid Openeye Name: 2-[4-(5-amino-3-oxo-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methyl-butanoic acid CAS Name: 2-[4-(5-amino-3-oxo-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methylbutanoic acid IUPAC Name: 2-[4-(5-amino-3-oxo-4-phenyl-2H-pyrrol-1-yl)phenyl]-3-methylbutanoic acid Traditional Name: 2-[4-(2-amino-4-keto-3-phenyl-2-pyrrolin-1-yl)phenyl]-3-methyl-butyric acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-13(2)18(21(25)26)15-8-10-16(11-9-15)23-12-17(24)19(20(23)22)14-6-4-3-5-7-14/h3-11,13,18H,12,22H2,1-2H3,(H,25,26)