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

Systemtic Name: 3-[3-(3-decoxyphenyl)propanoyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[3-(3-decoxyphenyl)propanoyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[3-(3-decoxyphenyl)-1-oxopropyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[3-(3-decoxyphenyl)propanoyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[3-(3-decoxyphenyl)propanoyl]-1-methyl-indole-2-carboxylic acid Formula: C29H37NO4 MolecularWeight: 463.60838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO4/c1-3-4-5-6-7-8-9-12-20-34-23-15-13-14-22(21-23)18-19-26(31)27-24-16-10-11-17-25(24)30(2)28(27)29(32)33/h10-11,13-17,21H,3-9,12,18-20H2,1-2H3,(H,32,33)