methyl 4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O5/c1-14(25)24-20(11-17-12-23-19-6-4-3-5-18(17)19)22(27)29-13-15-7-9-16(10-8-15)21(26)28-2/h3-10,12,20,23H,11,13H2,1-2H3,(H,24,25)/t20-/m0/s1