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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C21H29N3O3/c1-2-3-4-13-27-18-5-6-20-19(14-18)17(7-10-23-12-9-22-16-23)15-24(20)11-8-21(25)26/h5-6,9,12,14,16-17H,2-4,7-8,10-11,13,15H2,1H3,(H,25,26)