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

Systemtic Name: 3-[5-butoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[5-butoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoic acid CAS Name: 3-[5-butoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[5-butoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[5-butoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C20H27N3O3/c1-2-3-12-26-17-4-5-19-18(13-17)16(6-9-22-11-8-21-15-22)14-23(19)10-7-20(24)25/h4-5,8,11,13,15-16H,2-3,6-7,9-10,12,14H2,1H3,(H,24,25)