2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=C(C=C2)CNCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=C(C=C2)CNCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H24N4O3/c30-24(29-22(25(31)32)14-17-6-2-1-3-7-17)19-12-10-18(11-13-19)15-26-16-23-27-20-8-4-5-9-21(20)28-23/h1-13,22,26H,14-16H2,(H,27,28)(H,29,30)(H,31,32)