2-[1-(carboxymethyl)-6-chloranyl-indol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-6-chloranyl-indol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-[1-(carboxymethyl)-6-chloro-indol-3-yl]acetic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-2-[1-(carboxymethyl)-6-chloro-3-indolyl]acetic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-[1-(carboxymethyl)-6-chloroindol-3-yl]acetic acid Traditional Name: 2-(4-acetylpiperazino)-2-[1-(carboxymethyl)-6-chloro-indol-3-yl]acetic acid Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Cl)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Cl)CC(=O)O)C(=O)O

InChI

InChI=1S/C18H20ClN3O5/c1-11(23)20-4-6-21(7-5-20)17(18(26)27)14-9-22(10-16(24)25)15-8-12(19)2-3-13(14)15/h2-3,8-9,17H,4-7,10H2,1H3,(H,24,25)(H,26,27)