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

Systemtic Name: 2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid CAS Name: 2-[5-bromo-1-(carboxymethyl)-3-indolyl]-2-[4-(2-cyanoethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-cyanoethyl)piperazino]acetic acid Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C19H21BrN4O4/c20-13-2-3-16-14(10-13)15(11-24(16)12-17(25)26)18(19(27)28)23-8-6-22(7-9-23)5-1-4-21/h2-3,10-11,18H,1,5-9,12H2,(H,25,26)(H,27,28)