2-[2-[(2-methylphenyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-methylphenyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-5-yl]ethanoic acid Openeye Name: 2-[1-tert-butoxycarbonyl-2-(2-methylanilino)benzimidazol-5-yl]acetic acid CAS Name: 2-[2-(2-methylanilino)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(2-methylanilino)-1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-5-yl]acetic acid Traditional Name: 2-[1-tert-butoxycarbonyl-2-(o-toluidino)benzimidazol-5-yl]acetic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(N2C(=O)OC(C)(C)C)C=CC(=C3)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(N2C(=O)OC(C)(C)C)C=CC(=C3)CC(=O)O

InChI

InChI=1S/C21H23N3O4/c1-13-7-5-6-8-15(13)22-19-23-16-11-14(12-18(25)26)9-10-17(16)24(19)20(27)28-21(2,3)4/h5-11H,12H2,1-4H3,(H,22,23)(H,25,26)