3-[2-(4-decoxyphenyl)ethanoyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(4-decoxyphenyl)ethanoyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(4-decoxyphenyl)acetyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(4-decoxyphenyl)-1-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(4-decoxyphenyl)acetyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-(4-decoxyphenyl)acetyl]-1-methyl-indole-2-carboxylic acid Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)CC(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)CC(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C28H35NO4/c1-3-4-5-6-7-8-9-12-19-33-22-17-15-21(16-18-22)20-25(30)26-23-13-10-11-14-24(23)29(2)27(26)28(31)32/h10-11,13-18H,3-9,12,19-20H2,1-2H3,(H,31,32)