3-[5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c28-22(29)14-21(16-7-3-1-4-8-16)27-15-24-19-13-18(11-12-20(19)27)26-23(30)25-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,15,17,21H,2,5-6,9-10,14H2,(H,28,29)(H2,25,26,30)