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

Systemtic Name: 2-[4-[5-methyl-1-[[4-(4-propylphenyl)phenyl]methyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-[[4-(4-propylphenyl)phenyl]methyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-[[4-(4-propylphenyl)phenyl]methyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-[[4-(4-propylphenyl)phenyl]methyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[5-methyl-1-[4-(4-propylphenyl)benzyl]pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C36H34NO3- MolecularWeight: 528.66006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=CC=C3C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=CC=C3C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)[O-])C

InChI

InChI=1S/C36H35NO3/c1-3-7-27-11-15-30(16-12-27)31-17-13-29(14-18-31)25-37-26(2)10-23-34(37)32-19-21-33(22-20-32)40-35(36(38)39)24-28-8-5-4-6-9-28/h4-6,8-23,35H,3,7,24-25H2,1-2H3,(H,38,39)/p-1