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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C36H43NO4/c1-3-4-5-6-7-8-9-13-25-40-33-18-14-17-31(27-33)37-28(2)19-24-34(37)30-20-22-32(23-21-30)41-35(36(38)39)26-29-15-11-10-12-16-29/h10-12,14-24,27,35H,3-9,13,25-26H2,1-2H3,(H,38,39)/p-1