3-[3-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-yl]propanoic acid

Systemtic Name: 3-[3-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[3-(2-imidazol-1-ylethyl)-4-nonoxy-indolin-1-yl]propanoic acid CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-4-nonoxy-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[3-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-4-nonoxy-indolin-1-yl]propionic acid Formula: C25H37N3O3 MolecularWeight: 427.57958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC2=C1C(CN2CCC(=O)O)CCN3C=CN=C3

Isomeric SMILES

CCCCCCCCCOC1=CC=CC2=C1C(CN2CCC(=O)O)CCN3C=CN=C3

InChI

InChI=1S/C25H37N3O3/c1-2-3-4-5-6-7-8-18-31-23-11-9-10-22-25(23)21(12-15-27-17-14-26-20-27)19-28(22)16-13-24(29)30/h9-11,14,17,20-21H,2-8,12-13,15-16,18-19H2,1H3,(H,29,30)