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

Systemtic Name: 2-[4-[1-[1-(4-hexylphenyl)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-[1-(4-hexylphenyl)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-[1-(4-hexylphenyl)propyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-[1-(4-hexylphenyl)propyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-[1-(4-hexylphenyl)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C35H40NO3- MolecularWeight: 522.697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(CC)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCC1=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/C35H41NO3/c1-4-6-7-9-12-27-16-18-29(19-17-27)32(5-2)36-26(3)15-24-33(36)30-20-22-31(23-21-30)39-34(35(37)38)25-28-13-10-8-11-14-28/h8,10-11,13-24,32,34H,4-7,9,12,25H2,1-3H3,(H,37,38)/p-1