3-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid

Systemtic Name: 3-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoic acid CAS Name: 3-[5-decoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid Formula: C26H39N3O3 MolecularWeight: 441.60616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C26H39N3O3/c1-2-3-4-5-6-7-8-9-18-32-23-10-11-25-24(19-23)22(12-15-28-17-14-27-21-28)20-29(25)16-13-26(30)31/h10-11,14,17,19,21-22H,2-9,12-13,15-16,18,20H2,1H3,(H,30,31)