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

Systemtic Name: 2-[4-[5-methyl-1-[2-(4-undecoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[5-methyl-1-[2-(4-undecoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[5-methyl-1-[2-(4-undecoxyphenyl)ethyl]-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[5-methyl-1-[2-(4-undecoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[5-methyl-1-[2-(4-undecoxyphenyl)ethyl]pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C39H49NO4 MolecularWeight: 595.81066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C39H49NO4/c1-3-4-5-6-7-8-9-10-14-29-43-35-22-18-32(19-23-35)27-28-40-31(2)17-26-37(40)34-20-24-36(25-21-34)44-38(39(41)42)30-33-15-12-11-13-16-33/h11-13,15-26,38H,3-10,14,27-30H2,1-2H3,(H,41,42)