3,3-dimethyl-4-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]butanoic acid

Systemtic Name: 3,3-dimethyl-4-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]butanoic acid Openeye Name: 3,3-dimethyl-4-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]butanoic acid CAS Name: 3,3-dimethyl-4-[1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]butanoic acid IUPAC Name: 3,3-dimethyl-4-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]butanoic acid Traditional Name: 3,3-dimethyl-4-[1-(4-nitrobenzyl)benzimidazol-2-yl]butyric acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC(C)(CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C20H21N3O4/c1-20(2,12-19(24)25)11-18-21-16-5-3-4-6-17(16)22(18)13-14-7-9-15(10-8-14)23(26)27/h3-10H,11-13H2,1-2H3,(H,24,25)