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

Systemtic Name: 2-[5-butoxy-2-(2-phenylmethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-benzyloxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butoxy-2-(2-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butoxy-2-(2-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-benzoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C27H27NO4/c1-2-3-15-31-20-13-14-24-22(16-20)23(17-26(29)30)27(28-24)21-11-7-8-12-25(21)32-18-19-9-5-4-6-10-19/h4-14,16,28H,2-3,15,17-18H2,1H3,(H,29,30)