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

Systemtic Name: 2-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]ethanoic acid Openeye Name: 2-[5-dodecoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid CAS Name: 2-[5-dodecoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]acetic acid IUPAC Name: 2-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]acetic acid Traditional Name: 2-[3-(2-imidazol-1-ylethyl)-5-lauryloxy-indolin-1-yl]acetic acid Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C27H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-18-33-24-12-13-26-25(19-24)23(20-30(26)21-27(31)32)14-16-29-17-15-28-22-29/h12-13,15,17,19,22-23H,2-11,14,16,18,20-21H2,1H3,(H,31,32)