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3-[2-butyl-6-(propanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

3-[2-butyl-6-(propanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name:3-[2-butyl-6-(propanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid
Openeye Name:3-[2-butyl-6-(propanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid
CAS Name:3-[2-butyl-6-(1-oxopropylamino)-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid
IUPAC Name:3-[2-butyl-6-(propanoylamino)benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid
Traditional Name:3-(2-butyl-6-propionamido-benzimidazol-1-yl)-2-methyl-6-phenyl-benzoic acid
Formula: C28H29N3O3
MolecularWeight: 455.54816
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)CC


Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)CC


InChI

InChI=1S/C28H29N3O3/c1-4-6-12-25-30-22-15-13-20(29-26(32)5-2)17-24(22)31(25)23-16-14-21(19-10-8-7-9-11-19)27(18(23)3)28(33)34/h7-11,13-17H,4-6,12H2,1-3H3,(H,29,32)(H,33,34)


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