methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]acetate CAS Name: 2-[4-[4-(1-butyl-2-indolizinyl)phenyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]acetate Traditional Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenoxy]acetic acid methyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3/c1-3-4-7-24-25(18-28-17-6-5-8-26(24)28)22-11-9-20(10-12-22)21-13-15-23(16-14-21)31-19-27(29)30-2/h5-6,8-18H,3-4,7,19H2,1-2H3