(4-methylphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-methylphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: p-tolylmethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid (4-methylbenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C21H22N2O3/c1-14-7-9-16(10-8-14)13-26-21(25)20(23-15(2)24)11-17-12-22-19-6-4-3-5-18(17)19/h3-10,12,20,22H,11,13H2,1-2H3,(H,23,24)/t20-/m0/s1