3-[1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCN2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C23H27NO3S/c1-16(2)19-9-6-17(3)15-21(19)27-13-12-24-18(8-11-23(25)26)7-10-20(24)22-5-4-14-28-22/h4-7,9-10,14-16H,8,11-13H2,1-3H3,(H,25,26)