2-[3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-propyl-5-indolyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-propylindol-5-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[3-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propionic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H31NO4/c1-6-15-26-17(2)21(13-9-18-7-10-19(29-5)11-8-18)22-16-20(12-14-23(22)26)30-25(3,4)24(27)28/h7-8,10-12,14,16H,6,9,13,15H2,1-5H3,(H,27,28)