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

Systemtic Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C38H47NO4 MolecularWeight: 581.78408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C38H47NO4/c1-3-4-5-6-7-8-9-13-28-42-34-21-17-31(18-22-34)26-27-39-30(2)16-25-36(39)33-19-23-35(24-20-33)43-37(38(40)41)29-32-14-11-10-12-15-32/h10-12,14-25,37H,3-9,13,26-29H2,1-2H3,(H,40,41)