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1-[1-(5-chloranyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

1-[1-(5-chloranyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name:1-[1-(5-chloranyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid
Openeye Name:1-[1-(5-chloro-1H-indol-3-yl)-2-hydroxy-2-oxo-ethyl]piperidine-3-carboxylic acid
CAS Name:1-[1-(5-chloro-1H-indol-3-yl)-2-hydroxy-2-oxoethyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[1-(5-chloro-1H-indol-3-yl)-2-hydroxy-2-oxoethyl]piperidine-3-carboxylic acid
Traditional Name:1-[1-(5-chloro-1H-indol-3-yl)-2-hydroxy-2-keto-ethyl]nipecotic acid
Formula: C16H17ClN2O4
MolecularWeight: 336.77018
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)O)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)O)C(=O)O


InChI

InChI=1S/C16H17ClN2O4/c17-10-3-4-13-11(6-10)12(7-18-13)14(16(22)23)19-5-1-2-9(8-19)15(20)21/h3-4,6-7,9,14,18H,1-2,5,8H2,(H,20,21)(H,22,23)


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