3-tert-butyl-1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylic acid

Systemtic Name: 3-tert-butyl-1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylic acid Openeye Name: 3-tert-butyl-1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-5-carboxylic acid CAS Name: 3-tert-butyl-1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indolecarboxylic acid IUPAC Name: 3-tert-butyl-1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carboxylic acid Traditional Name: 3-tert-butyl-1-[2-keto-3-(4-octylphenoxy)propyl]indole-5-carboxylic acid Formula: C30H39NO4 MolecularWeight: 477.63496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C30H39NO4/c1-5-6-7-8-9-10-11-22-12-15-25(16-13-22)35-21-24(32)19-31-20-27(30(2,3)4)26-18-23(29(33)34)14-17-28(26)31/h12-18,20H,5-11,19,21H2,1-4H3,(H,33,34)