3-[5-[3-(2-oxidanylidenecyclododecyl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[3-(2-oxidanylidenecyclododecyl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[3-(2-oxocyclododecyl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[1-oxo-3-(2-oxocyclododecyl)propyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[3-(2-oxocyclododecyl)propanoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[3-(2-ketocyclododecyl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=O)C(CCCC1)CCC(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CCCCCC(=O)C(CCCC1)CCC(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C31H39N3O4/c35-29-15-11-6-4-2-1-3-5-8-14-24(29)16-19-30(36)33-25-17-18-27-26(20-25)32-22-34(27)28(21-31(37)38)23-12-9-7-10-13-23/h7,9-10,12-13,17-18,20,22,24,28H,1-6,8,11,14-16,19,21H2,(H,33,36)(H,37,38)