3-[2-ethyl-4-methyl-6-[1-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-ethyl-4-methyl-6-[1-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-ethyl-4-methyl-6-[1-[3-(1-piperidyl)propyl]imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-ethyl-4-methyl-6-[1-[3-(1-piperidinyl)propyl]-4-imidazolyl]-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-ethyl-4-methyl-6-[1-(3-piperidin-1-ylpropyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-ethyl-4-methyl-6-[1-(3-piperidinopropyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C35H39N5O2 MolecularWeight: 561.71646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=CN(C=N5)CCCN6CCCCC6)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=CN(C=N5)CCCN6CCCCC6)C

InChI

InChI=1S/C35H39N5O2/c1-4-32-37-34-24(2)20-27(29-22-39(23-36-29)19-11-18-38-16-9-6-10-17-38)21-31(34)40(32)30-15-14-28(26-12-7-5-8-13-26)33(25(30)3)35(41)42/h5,7-8,12-15,20-23H,4,6,9-11,16-19H2,1-3H3,(H,41,42)