methyl 2-acetyloxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 2-acetyloxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 2-acetoxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoate CAS Name: 2-acetyloxy-4-[[[3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-acetyloxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoate Traditional Name: 2-acetoxy-4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)CNC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)CNC(=O)CCC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H22N2O5/c1-14(25)29-20-11-15(7-9-18(20)22(27)28-2)12-24-21(26)10-8-16-13-23-19-6-4-3-5-17(16)19/h3-7,9,11,13,23H,8,10,12H2,1-2H3,(H,24,26)