2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-methylallyl)piperazin-1-yl]acetic acid CAS Name: 2-[5-bromo-1-(carboxymethyl)-3-indolyl]-2-[4-(2-methylprop-2-enyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid Traditional Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-methylallyl)piperazino]acetic acid Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C20H24BrN3O4/c1-13(2)10-22-5-7-23(8-6-22)19(20(27)28)16-11-24(12-18(25)26)17-4-3-14(21)9-15(16)17/h3-4,9,11,19H,1,5-8,10,12H2,2H3,(H,25,26)(H,27,28)