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

Systemtic Name: 2-[4-[1-(4-hexylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-(4-hexylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-(4-hexylphenyl)-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-hexylphenyl)-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-hexylphenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C32H34NO3- MolecularWeight: 480.61726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35NO3/c1-3-4-5-7-10-25-14-18-28(19-15-25)33-24(2)13-22-30(33)27-16-20-29(21-17-27)36-31(32(34)35)23-26-11-8-6-9-12-26/h6,8-9,11-22,31H,3-5,7,10,23H2,1-2H3,(H,34,35)/p-1