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

Systemtic Name: 2-[4-[5-methyl-1-[3-(4-octylphenoxy)propyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-[3-(4-octylphenoxy)propyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-[3-(4-octylphenoxy)propyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-[3-(4-octylphenoxy)propyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[5-methyl-1-[3-(4-octylphenoxy)propyl]pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C37H44NO4- MolecularWeight: 566.74956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C37H45NO4/c1-3-4-5-6-7-9-13-30-17-21-33(22-18-30)41-27-12-26-38-29(2)16-25-35(38)32-19-23-34(24-20-32)42-36(37(39)40)28-31-14-10-8-11-15-31/h8,10-11,14-25,36H,3-7,9,12-13,26-28H2,1-2H3,(H,39,40)/p-1