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

Systemtic Name: (phenylmethyl) 3-(3-acetyloxy-2-oxidanylidene-propyl)-5-methyl-indole-1-carboxylate Openeye Name: benzyl 3-(3-acetoxy-2-oxo-propyl)-5-methyl-indole-1-carboxylate CAS Name: 3-(3-acetyloxy-2-oxopropyl)-5-methyl-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-acetyloxy-2-oxopropyl)-5-methylindole-1-carboxylate Traditional Name: 3-(3-acetoxy-2-keto-propyl)-5-methyl-indole-1-carboxylic acid benzyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-15-8-9-21-20(10-15)18(11-19(25)14-27-16(2)24)12-23(21)22(26)28-13-17-6-4-3-5-7-17/h3-10,12H,11,13-14H2,1-2H3