3-[4-[2-[2-methyl-5-(4-methylphenyl)pyrrol-1-yl]ethoxy]phenyl]-2-propoxy-propanoic acid

Systemtic Name: 3-[4-[2-[2-methyl-5-(4-methylphenyl)pyrrol-1-yl]ethoxy]phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[4-[2-[2-methyl-5-(p-tolyl)pyrrol-1-yl]ethoxy]phenyl]-2-propoxy-propanoic acid CAS Name: 3-[4-[2-[2-methyl-5-(4-methylphenyl)-1-pyrrolyl]ethoxy]phenyl]-2-propoxypropanoic acid IUPAC Name: 3-[4-[2-[2-methyl-5-(4-methylphenyl)pyrrol-1-yl]ethoxy]phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-[2-[2-methyl-5-(p-tolyl)pyrrol-1-yl]ethoxy]phenyl]-2-propoxy-propionic acid Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)C)C)C(=O)O

Isomeric SMILES

CCCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)C)C)C(=O)O

InChI

InChI=1S/C26H31NO4/c1-4-16-31-25(26(28)29)18-21-8-12-23(13-9-21)30-17-15-27-20(3)7-14-24(27)22-10-5-19(2)6-11-22/h5-14,25H,4,15-18H2,1-3H3,(H,28,29)