methyl (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)carbamoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)carbamoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-(m-tolylcarbamoylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(3-methylanilino)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)carbamoylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(m-tolylcarbamoylamino)propionic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-13-6-5-7-15(10-13)22-20(25)23-18(19(24)26-2)11-14-12-21-17-9-4-3-8-16(14)17/h3-10,12,18,21H,11H2,1-2H3,(H2,22,23,25)/t18-/m0/s1