methyl (2S)-2-[2-(2,4-dimethylphenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-(2,4-dimethylphenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(2,4-dimethylphenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C22H24N2O4/c1-14-8-9-20(15(2)10-14)28-13-21(25)24-19(22(26)27-3)11-16-12-23-18-7-5-4-6-17(16)18/h4-10,12,19,23H,11,13H2,1-3H3,(H,24,25)/t19-/m0/s1