3-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3-chloranyl-4-propan-2-yloxy-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3-chloranyl-4-propan-2-yloxy-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3-chloro-4-isopropoxy-benzoyl)amino]propanoic acid CAS Name: 3-[4-(1H-benzimidazol-2-yl)phenyl]-2-[[(3-chloro-4-propan-2-yloxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]propanoic acid Traditional Name: 3-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3-chloro-4-isopropoxy-benzoyl)amino]propionic acid Formula: C26H24ClN3O4 MolecularWeight: 477.93946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C(=O)O)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C(=O)O)Cl

InChI

InChI=1S/C26H24ClN3O4/c1-15(2)34-23-12-11-18(14-19(23)27)25(31)30-22(26(32)33)13-16-7-9-17(10-8-16)24-28-20-5-3-4-6-21(20)29-24/h3-12,14-15,22H,13H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)