2-[5-butyl-2-(2-phenylmethoxyphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butyl-2-(2-phenylmethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-benzyloxyphenyl)-5-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-(2-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(2-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-benzoxyphenyl)-5-butyl-1H-indol-3-yl]acetic acid Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C27H27NO3/c1-2-3-9-19-14-15-24-22(16-19)23(17-26(29)30)27(28-24)21-12-7-8-13-25(21)31-18-20-10-5-4-6-11-20/h4-8,10-16,28H,2-3,9,17-18H2,1H3,(H,29,30)