4-[(2-tert-butyl-3H-benzimidazol-5-yl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-tert-butyl-3H-benzimidazol-5-yl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-tert-butyl-3H-benzimidazol-5-yl)amino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[(2-tert-butyl-3H-benzimidazol-5-yl)amino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[(2-tert-butyl-3H-benzimidazol-5-yl)amino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[(2-tert-butyl-3H-benzimidazol-5-yl)amino]-2,2-diethyl-4-keto-butyric acid Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC2=C(C=C1)N=C(N2)C(C)(C)C)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC2=C(C=C1)N=C(N2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C19H27N3O3/c1-6-19(7-2,17(24)25)11-15(23)20-12-8-9-13-14(10-12)22-16(21-13)18(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,20,23)(H,21,22)(H,24,25)