2-[4-[5-methyl-1-[2-(4-octoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate

Systemtic Name: 2-[4-[5-methyl-1-[2-(4-octoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-[2-(4-octoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-[2-(4-octoxyphenyl)ethyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-[2-(4-octoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[5-methyl-1-[2-(4-octoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C36H42NO4- MolecularWeight: 552.72298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C36H43NO4/c1-3-4-5-6-7-11-26-40-32-19-15-29(16-20-32)24-25-37-28(2)14-23-34(37)31-17-21-33(22-18-31)41-35(36(38)39)27-30-12-9-8-10-13-30/h8-10,12-23,35H,3-7,11,24-27H2,1-2H3,(H,38,39)/p-1