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

Systemtic Name: 2-[4-[5-methyl-1-(4-octylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-(4-octylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-(4-octylphenyl)-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-(4-octylphenyl)pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[5-methyl-1-(4-octylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C34H38NO3- MolecularWeight: 508.67042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C34H39NO3/c1-3-4-5-6-7-9-12-27-16-20-30(21-17-27)35-26(2)15-24-32(35)29-18-22-31(23-19-29)38-33(34(36)37)25-28-13-10-8-11-14-28/h8,10-11,13-24,33H,3-7,9,12,25H2,1-2H3,(H,36,37)/p-1