1-[1-(6-benzamido-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(6-benzamido-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(6-benzamido-1H-indol-3-yl)-2-hydroxy-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(6-benzamido-1H-indol-3-yl)-2-hydroxy-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(6-benzamido-1H-indol-3-yl)-2-hydroxy-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(6-benzamido-1H-indol-3-yl)-2-hydroxy-2-keto-ethyl]isonipecotic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H23N3O5/c27-21(14-4-2-1-3-5-14)25-16-6-7-17-18(13-24-19(17)12-16)20(23(30)31)26-10-8-15(9-11-26)22(28)29/h1-7,12-13,15,20,24H,8-11H2,(H,25,27)(H,28,29)(H,30,31)