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

Systemtic Name: 2-[5-tert-butyl-2-(4-ethoxy-3-methoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-tert-butyl-2-(4-ethoxy-3-methoxy-phenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-tert-butyl-2-(4-ethoxy-3-methoxy-phenyl)-1H-indol-3-yl]acetic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C)CC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C)CC(=O)O)OC

InChI

InChI=1S/C23H27NO4/c1-6-28-19-10-7-14(11-20(19)27-5)22-17(13-21(25)26)16-12-15(23(2,3)4)8-9-18(16)24-22/h7-12,24H,6,13H2,1-5H3,(H,25,26)