1-[2-oxidanyl-2-oxidanylidene-1-(6-phenylmethoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-2-oxidanylidene-1-(6-phenylmethoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(6-benzyloxy-1H-indol-3-yl)-2-hydroxy-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-hydroxy-2-oxo-1-(6-phenylmethoxy-1H-indol-3-yl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-2-oxo-1-(6-phenylmethoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(6-benzoxy-1H-indol-3-yl)-2-hydroxy-2-keto-ethyl]nipecotic acid Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H24N2O5/c26-22(27)16-7-4-10-25(13-16)21(23(28)29)19-12-24-20-11-17(8-9-18(19)20)30-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16,21,24H,4,7,10,13-14H2,(H,26,27)(H,28,29)