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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H43NO3/c1-4-6-7-8-10-13-28-17-19-30(20-18-28)33(5-2)37-27(3)16-25-34(37)31-21-23-32(24-22-31)40-35(36(38)39)26-29-14-11-9-12-15-29/h9,11-12,14-25,33,35H,4-8,10,13,26H2,1-3H3,(H,38,39)/p-1