1-[(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(1-methylpyrrol-2-yl)methyl]isonipecotic acid Formula: C18H21BrN2O2 MolecularWeight: 377.27554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21BrN2O2/c1-20-9-3-6-16(20)17(14-4-2-5-15(19)12-14)21-10-7-13(8-11-21)18(22)23/h2-6,9,12-13,17H,7-8,10-11H2,1H3,(H,22,23)