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

Systemtic Name: 2-[5-butyl-2-(3-phenylmethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(3-benzyloxyphenyl)-5-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-(3-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(3-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(3-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=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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