1-[[1-(4-nitrophenyl)indol-3-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[1-(4-nitrophenyl)indol-3-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[1-(4-nitrophenyl)indol-3-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(4-nitrophenyl)-3-indolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-(4-nitrophenyl)indol-3-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-(4-nitrophenyl)indol-3-yl]methyl]isonipecotic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CN(C3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CN(C3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c25-21(26)15-9-11-22(12-10-15)13-16-14-23(20-4-2-1-3-19(16)20)17-5-7-18(8-6-17)24(27)28/h1-8,14-15H,9-13H2,(H,25,26)