2-azanyl-4,4-dimethyl-5-oxidanylidene-5-(2-phenylphenyl)pentanoic acid; 1H-imidazol-5-ylmethanamine

Systemtic Name: 2-azanyl-4,4-dimethyl-5-oxidanylidene-5-(2-phenylphenyl)pentanoic acid; 1H-imidazol-5-ylmethanamine Openeye Name: 2-amino-4,4-dimethyl-5-oxo-5-(2-phenylphenyl)pentanoic acid; 1H-imidazol-5-ylmethanamine CAS Name: 2-amino-4,4-dimethyl-5-oxo-5-(2-phenylphenyl)pentanoic acid; 1H-imidazol-5-ylmethanamine IUPAC Name: 2-amino-4,4-dimethyl-5-oxo-5-(2-phenylphenyl)pentanoic acid; 1H-imidazol-5-ylmethanamine Traditional Name: 2-amino-5-keto-4,4-dimethyl-5-(2-phenylphenyl)valeric acid; 1H-imidazol-5-ylmethylamine Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)N)C(=O)C1=CC=CC=C1C2=CC=CC=C2.C1=C(NC=N1)CN

Isomeric SMILES

CC(C)(CC(C(=O)O)N)C(=O)C1=CC=CC=C1C2=CC=CC=C2.C1=C(NC=N1)CN

InChI

InChI=1S/C19H21NO3.C4H7N3/c1-19(2,12-16(20)18(22)23)17(21)15-11-7-6-10-14(15)13-8-4-3-5-9-13;5-1-4-2-6-3-7-4/h3-11,16H,12,20H2,1-2H3,(H,22,23);2-3H,1,5H2,(H,6,7)