ethyl 2-[[2-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl 2-[[2-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[[2-(5-bromo-1H-indol-3-yl)-2-oxo-acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-(5-bromo-1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-(5-bromo-1H-indol-3-yl)-2-keto-acetyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O5/c1-2-29-21(28)18(9-12-3-6-14(25)7-4-12)24-20(27)19(26)16-11-23-17-8-5-13(22)10-15(16)17/h3-8,10-11,18,23,25H,2,9H2,1H3,(H,24,27)