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

Systemtic Name: 2-[4-[1-[2-(4-heptoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-[2-(4-heptoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-[2-(4-heptoxyphenyl)ethyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-[2-(4-heptoxyphenyl)ethyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-[2-(4-heptoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C35H41NO4 MolecularWeight: 539.70434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C35H41NO4/c1-3-4-5-6-10-25-39-31-18-14-28(15-19-31)23-24-36-27(2)13-22-33(36)30-16-20-32(21-17-30)40-34(35(37)38)26-29-11-8-7-9-12-29/h7-9,11-22,34H,3-6,10,23-26H2,1-2H3,(H,37,38)