2-[4-[5-methyl-1-[2-(4-nonoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[5-methyl-1-[2-(4-nonoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[5-methyl-1-[2-(4-nonoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[5-methyl-1-[2-(4-nonoxyphenyl)ethyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[5-methyl-1-[2-(4-nonoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[5-methyl-1-[2-(4-nonoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C37H45NO4 MolecularWeight: 567.7575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C37H45NO4/c1-3-4-5-6-7-8-12-27-41-33-20-16-30(17-21-33)25-26-38-29(2)15-24-35(38)32-18-22-34(23-19-32)42-36(37(39)40)28-31-13-10-9-11-14-31/h9-11,13-24,36H,3-8,12,25-28H2,1-2H3,(H,39,40)