4-chloranyl-3-dodecanoyl-1-methyl-indole-2-carboxylic acid

Systemtic Name: 4-chloranyl-3-dodecanoyl-1-methyl-indole-2-carboxylic acid Openeye Name: 4-chloro-3-dodecanoyl-1-methyl-indole-2-carboxylic acid CAS Name: 4-chloro-1-methyl-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 4-chloro-3-dodecanoyl-1-methylindole-2-carboxylic acid Traditional Name: 4-chloro-3-lauroyl-1-methyl-indole-2-carboxylic acid Formula: C22H30ClNO3 MolecularWeight: 391.9315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=C1C(=CC=C2)Cl)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=C1C(=CC=C2)Cl)C)C(=O)O

InChI

InChI=1S/C22H30ClNO3/c1-3-4-5-6-7-8-9-10-11-15-18(25)20-19-16(23)13-12-14-17(19)24(2)21(20)22(26)27/h12-14H,3-11,15H2,1-2H3,(H,26,27)