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

Systemtic Name: 5-[[2-butyl-4-chloranyl-5-[(propoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[2-butyl-4-chloro-5-[(propoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[2-butyl-4-chloro-5-[[[oxo(propoxy)methyl]amino]methyl]-1-imidazolyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[2-butyl-4-chloro-5-[(propoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[2-butyl-4-chloro-5-[(propoxycarbonylamino)methyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid Formula: C26H30ClN3O4 MolecularWeight: 483.9871

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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)OCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O4/c1-3-5-11-23-29-24(27)22(16-28-26(33)34-14-4-2)30(23)17-18-12-13-20(21(15-18)25(31)32)19-9-7-6-8-10-19/h6-10,12-13,15H,3-5,11,14,16-17H2,1-2H3,(H,28,33)(H,31,32)