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

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

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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