1-(4-tert-butylphenyl)-3-(3-ethoxyphenoxy)indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-3-(3-ethoxyphenoxy)indole-2-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(3-ethoxyphenoxy)indole-2-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(3-ethoxyphenoxy)-2-indolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(3-ethoxyphenoxy)indole-2-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(3-ethoxyphenoxy)indole-2-carboxylic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)OC2=C(N(C3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)OC2=C(N(C3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H27NO4/c1-5-31-20-9-8-10-21(17-20)32-25-22-11-6-7-12-23(22)28(24(25)26(29)30)19-15-13-18(14-16-19)27(2,3)4/h6-17H,5H2,1-4H3,(H,29,30)