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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C33H37NO3/c1-4-5-7-10-26-14-16-28(17-15-26)25(3)34-24(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/h6,8-9,11-22,25,32H,4-5,7,10,23H2,1-3H3,(H,35,36)/p-1