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

Systemtic Name: 2-[4-[1-[(4-hexylphenyl)methyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-[(4-hexylphenyl)methyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-[(4-hexylphenyl)methyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-[(4-hexylphenyl)methyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-(4-hexylbenzyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C33H36NO3- MolecularWeight: 494.64384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C33H37NO3/c1-3-4-5-7-10-26-14-16-28(17-15-26)24-34-25(2)13-22-31(34)29-18-20-30(21-19-29)37-32(33(35)36)23-27-11-8-6-9-12-27/h6,8-9,11-22,32H,3-5,7,10,23-24H2,1-2H3,(H,35,36)/p-1