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

Systemtic Name: 2-[4-[5-methyl-1-[4-(4-phenylbutoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-[4-(4-phenylbutoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-[4-(4-phenylbutoxy)phenyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-[4-(4-phenylbutoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[5-methyl-1-[4-(4-phenylbutoxy)phenyl]pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C36H34NO4- MolecularWeight: 544.65946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)OCCCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)OCCCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C36H35NO4/c1-27-15-24-34(30-16-20-33(21-17-30)41-35(36(38)39)26-29-13-6-3-7-14-29)37(27)31-18-22-32(23-19-31)40-25-9-8-12-28-10-4-2-5-11-28/h2-7,10-11,13-24,35H,8-9,12,25-26H2,1H3,(H,38,39)/p-1