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

Systemtic Name: 2-[5-hexoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]ethanoic acid Openeye Name: 2-[5-hexoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid CAS Name: 2-[5-hexoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]acetic acid IUPAC Name: 2-[5-hexoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]acetic acid Traditional Name: 2-[5-hexoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C21H29N3O3/c1-2-3-4-5-12-27-18-6-7-20-19(13-18)17(14-24(20)15-21(25)26)8-10-23-11-9-22-16-23/h6-7,9,11,13,16-17H,2-5,8,10,12,14-15H2,1H3,(H,25,26)