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

Systemtic Name: 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoic acid CAS Name: 3-[5-heptoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[5-heptoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3/c1-2-3-4-5-6-15-29-20-7-8-22-21(16-20)19(9-12-25-14-11-24-18-25)17-26(22)13-10-23(27)28/h7-8,11,14,16,18-19H,2-6,9-10,12-13,15,17H2,1H3,(H,27,28)