3-[[4-[[1H-benzimidazol-2-yl-(4-cyclohexylphenyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[1H-benzimidazol-2-yl-(4-cyclohexylphenyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[N-(1H-benzimidazol-2-yl)-4-cyclohexyl-anilino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[N-(1H-benzimidazol-2-yl)-4-cyclohexylanilino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[N-(1H-benzimidazol-2-yl)-4-cyclohexylanilino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[N-(1H-benzimidazol-2-yl)-4-cyclohexyl-anilino]methyl]benzoyl]amino]propionic acid Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C30H32N4O3/c35-28(36)18-19-31-29(37)24-12-10-21(11-13-24)20-34(30-32-26-8-4-5-9-27(26)33-30)25-16-14-23(15-17-25)22-6-2-1-3-7-22/h4-5,8-17,22H,1-3,6-7,18-20H2,(H,31,37)(H,32,33)(H,35,36)