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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C36H43NO4/c1-3-4-5-6-8-12-29-16-20-32(21-17-29)40-26-11-25-37-28(2)15-24-34(37)31-18-22-33(23-19-31)41-35(36(38)39)27-30-13-9-7-10-14-30/h7,9-10,13-24,35H,3-6,8,11-12,25-27H2,1-2H3,(H,38,39)/p-1