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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-keto-2-(2-methoxyethylamino)ethyl]piperazino]acetic acid Formula: C19H25BrN4O4 MolecularWeight: 453.3302

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

COCCNC(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H25BrN4O4/c1-28-9-4-21-17(25)12-23-5-7-24(8-6-23)18(19(26)27)15-11-22-16-3-2-13(20)10-14(15)16/h2-3,10-11,18,22H,4-9,12H2,1H3,(H,21,25)(H,26,27)