2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]acetic acid CAS Name: 2-[4-[4-(1-butyl-2-indolizinyl)phenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]acetic acid Traditional Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]acetic acid Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C4=CC=C(C=C4)OCC(=O)O

Isomeric SMILES

CCCCC1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C4=CC=C(C=C4)OCC(=O)O

InChI

InChI=1S/C26H25NO3/c1-2-3-6-23-24(17-27-16-5-4-7-25(23)27)21-10-8-19(9-11-21)20-12-14-22(15-13-20)30-18-26(28)29/h4-5,7-17H,2-3,6,18H2,1H3,(H,28,29)