2-(5-bromanyl-1H-indol-3-yl)-2-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-keto-2-(tetrahydrofurfurylamino)ethyl]piperazino]acetic acid Formula: C21H27BrN4O4 MolecularWeight: 479.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)CN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H27BrN4O4/c22-14-3-4-18-16(10-14)17(12-23-18)20(21(28)29)26-7-5-25(6-8-26)13-19(27)24-11-15-2-1-9-30-15/h3-4,10,12,15,20,23H,1-2,5-9,11,13H2,(H,24,27)(H,28,29)