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

Systemtic Name: 2-[5-heptoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]ethanoic acid Openeye Name: 2-[5-heptoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid CAS Name: 2-[5-heptoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]acetic acid IUPAC Name: 2-[5-heptoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]acetic acid Traditional Name: 2-[5-heptoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C22H31N3O3/c1-2-3-4-5-6-13-28-19-7-8-21-20(14-19)18(15-25(21)16-22(26)27)9-11-24-12-10-23-17-24/h7-8,10,12,14,17-18H,2-6,9,11,13,15-16H2,1H3,(H,26,27)