ethyl 6-chloranyl-3-dodecanoyl-1-methyl-indole-2-carboxylate

Systemtic Name: ethyl 6-chloranyl-3-dodecanoyl-1-methyl-indole-2-carboxylate Openeye Name: ethyl 6-chloro-3-dodecanoyl-1-methyl-indole-2-carboxylate CAS Name: 6-chloro-1-methyl-3-(1-oxododecyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-3-dodecanoyl-1-methylindole-2-carboxylate Traditional Name: 6-chloro-3-lauroyl-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C24H34ClNO3 MolecularWeight: 419.98466

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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H34ClNO3/c1-4-6-7-8-9-10-11-12-13-14-21(27)22-19-16-15-18(25)17-20(19)26(3)23(22)24(28)29-5-2/h15-17H,4-14H2,1-3H3