methyl (2S)-2-[(4-ethanoylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(4-ethanoylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-acetylanilino)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-13(25)14-7-9-16(10-8-14)23-21(27)24-19(20(26)28-2)11-15-12-22-18-6-4-3-5-17(15)18/h3-10,12,19,22H,11H2,1-2H3,(H2,23,24,27)/t19-/m0/s1