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

Systemtic Name: 2-[4-[1-(4-decylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-(4-decylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-(4-decylphenyl)-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-decylphenyl)-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-decylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C36H42NO3- MolecularWeight: 536.72358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C36H43NO3/c1-3-4-5-6-7-8-9-11-14-29-18-22-32(23-19-29)37-28(2)17-26-34(37)31-20-24-33(25-21-31)40-35(36(38)39)27-30-15-12-10-13-16-30/h10,12-13,15-26,35H,3-9,11,14,27H2,1-2H3,(H,38,39)/p-1