ethyl (2R)-2-[[2-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2R)-2-[[2-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(5-bromo-1H-indol-3-yl)-2-oxo-acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-(5-bromo-1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-(5-bromo-1H-indol-3-yl)-2-keto-acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(=O)C2=CNC3=C2C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C(=O)C2=CNC3=C2C=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O4/c1-2-28-21(27)18(10-13-6-4-3-5-7-13)24-20(26)19(25)16-12-23-17-9-8-14(22)11-15(16)17/h3-9,11-12,18,23H,2,10H2,1H3,(H,24,26)/t18-/m1/s1