2-(6-bromanyl-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-keto-2-morpholino-ethyl)piperazino]acetic acid Formula: C20H25BrN4O4 MolecularWeight: 465.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCOCC2)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCOCC2)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C20H25BrN4O4/c21-14-1-2-15-16(12-22-17(15)11-14)19(20(27)28)25-5-3-23(4-6-25)13-18(26)24-7-9-29-10-8-24/h1-2,11-12,19,22H,3-10,13H2,(H,27,28)