(phenylmethyl) 3-(3-chloranyl-2-oxidanylidene-propyl)-5-methyl-indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-chloranyl-2-oxidanylidene-propyl)-5-methyl-indole-1-carboxylate Openeye Name: benzyl 3-(3-chloro-2-oxo-propyl)-5-methyl-indole-1-carboxylate CAS Name: 3-(3-chloro-2-oxopropyl)-5-methyl-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-chloro-2-oxopropyl)-5-methylindole-1-carboxylate Traditional Name: 3-(3-chloro-2-keto-propyl)-5-methyl-indole-1-carboxylic acid benzyl ester Formula: C20H18ClNO3 MolecularWeight: 355.81482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CC(=O)CCl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CC(=O)CCl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClNO3/c1-14-7-8-19-18(9-14)16(10-17(23)11-21)12-22(19)20(24)25-13-15-5-3-2-4-6-15/h2-9,12H,10-11,13H2,1H3