2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-ethylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-ethylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetic acid CAS Name: 2-[6-bromo-1-(carboxymethyl)-3-indolyl]-2-(4-ethyl-1-piperazinyl)acetic acid IUPAC Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetic acid Traditional Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-ethylpiperazino)acetic acid Formula: C18H22BrN3O4 MolecularWeight: 424.28898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C18H22BrN3O4/c1-2-20-5-7-21(8-6-20)17(18(25)26)14-10-22(11-16(23)24)15-9-12(19)3-4-13(14)15/h3-4,9-10,17H,2,5-8,11H2,1H3,(H,23,24)(H,25,26)