1-[2-azanyl-3-(4-bromophenyl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-azanyl-3-(4-bromophenyl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-amino-3-(4-bromophenyl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-amino-3-(4-bromophenyl)-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-amino-3-(4-bromophenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-amino-3-(4-bromophenyl)propanoyl]-4-phenyl-isonipecotic acid Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)C(CC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)C(CC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C21H23BrN2O3/c22-17-8-6-15(7-9-17)14-18(23)19(25)24-12-10-21(11-13-24,20(26)27)16-4-2-1-3-5-16/h1-9,18H,10-14,23H2,(H,26,27)