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

Systemtic Name: 2-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]ethanoic acid Openeye Name: 2-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid CAS Name: 2-[5-decoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]acetic acid IUPAC Name: 2-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]acetic acid Traditional Name: 2-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid Formula: C25H37N3O3 MolecularWeight: 427.57958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3/c1-2-3-4-5-6-7-8-9-16-31-22-10-11-24-23(17-22)21(18-28(24)19-25(29)30)12-14-27-15-13-26-20-27/h10-11,13,15,17,20-21H,2-9,12,14,16,18-19H2,1H3,(H,29,30)