5-[[2-butyl-4-chloranyl-5-[(methoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[2-butyl-4-chloranyl-5-[(methoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[2-butyl-4-chloro-5-[(methoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[2-butyl-4-chloro-5-[(methoxycarbonylamino)methyl]-1-imidazolyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[2-butyl-4-chloro-5-[(methoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[2-butyl-5-[(carbomethoxyamino)methyl]-4-chloro-imidazol-1-yl]methyl]-2-phenyl-benzoic acid Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)CNC(=O)OC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)CNC(=O)OC)Cl

InChI

InChI=1S/C24H26ClN3O4/c1-3-4-10-21-27-22(25)20(14-26-24(31)32-2)28(21)15-16-11-12-18(19(13-16)23(29)30)17-8-6-5-7-9-17/h5-9,11-13H,3-4,10,14-15H2,1-2H3,(H,26,31)(H,29,30)