1-methyl-2-[2-[4-[(2-phenylazanylethanoylamino)methyl]phenyl]ethyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-methyl-2-[2-[4-[(2-phenylazanylethanoylamino)methyl]phenyl]ethyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[4-[[(2-anilinoacetyl)amino]methyl]phenyl]ethyl]-1-methyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[4-[[(2-anilino-1-oxoethyl)amino]methyl]phenyl]ethyl]-1-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[4-[[(2-anilinoacetyl)amino]methyl]phenyl]ethyl]-1-methylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[4-[[(2-anilinoacetyl)amino]methyl]phenyl]ethyl]-1-methyl-benzimidazole-5-carboxylic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)O)N=C1CCC3=CC=C(C=C3)CNC(=O)CNC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)O)N=C1CCC3=CC=C(C=C3)CNC(=O)CNC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3/c1-30-23-13-12-20(26(32)33)15-22(23)29-24(30)14-11-18-7-9-19(10-8-18)16-28-25(31)17-27-21-5-3-2-4-6-21/h2-10,12-13,15,27H,11,14,16-17H2,1H3,(H,28,31)(H,32,33)