2-[5-tert-butyl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-ethoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-tert-butyl-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-tert-butyl-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-ethoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C)CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31NO4/c1-5-33-26-15-20(11-14-25(26)34-18-19-9-7-6-8-10-19)28-23(17-27(31)32)22-16-21(29(2,3)4)12-13-24(22)30-28/h6-16,30H,5,17-18H2,1-4H3,(H,31,32)