methyl (2S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(5-bromonicotinoyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H16BrN3O3/c1-25-18(24)16(22-17(23)12-6-13(19)10-20-8-12)7-11-9-21-15-5-3-2-4-14(11)15/h2-6,8-10,16,21H,7H2,1H3,(H,22,23)/t16-/m0/s1