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

Systemtic Name: 2-[4-[1-(4-heptylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-(4-heptylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-(4-heptylphenyl)-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-heptylphenyl)-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-heptylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C33H36NO3- MolecularWeight: 494.64384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C33H37NO3/c1-3-4-5-6-8-11-26-15-19-29(20-16-26)34-25(2)14-23-31(34)28-17-21-30(22-18-28)37-32(33(35)36)24-27-12-9-7-10-13-27/h7,9-10,12-23,32H,3-6,8,11,24H2,1-2H3,(H,35,36)/p-1