1-[2-(5-bromanylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(5-bromanylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(5-bromo-1-indolyl)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(5-bromoindol-1-yl)acetyl]nipecotic acid Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=CC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CN2C=CC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C16H17BrN2O3/c17-13-3-4-14-11(8-13)5-7-18(14)10-15(20)19-6-1-2-12(9-19)16(21)22/h3-5,7-8,12H,1-2,6,9-10H2,(H,21,22)