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

Systemtic Name: 1-[(3-bromophenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(1H-indol-3-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(1H-indol-3-yl)methyl]isonipecotic acid Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Br)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21BrN2O2/c22-16-5-3-4-15(12-16)20(24-10-8-14(9-11-24)21(25)26)18-13-23-19-7-2-1-6-17(18)19/h1-7,12-14,20,23H,8-11H2,(H,25,26)