methyl 2-[[4-[(5-bromanylpyridin-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[4-[(5-bromanylpyridin-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[4-[(5-bromo-2-pyridyl)amino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[4-[(5-bromo-2-pyridyl)amino]-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O4/c1-30-21(29)17(10-13-11-23-16-5-3-2-4-15(13)16)25-19(27)8-9-20(28)26-18-7-6-14(22)12-24-18/h2-7,11-12,17,23H,8-10H2,1H3,(H,25,27)(H,24,26,28)