3-[3-bromanyl-4-[(1-phenylpiperidin-2-yl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-4-[(1-phenylpiperidin-2-yl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[3-bromo-4-[(1-phenylpiperidine-2-carbonyl)amino]phenyl]propanoic acid CAS Name: 3-[3-bromo-4-[[oxo-(1-phenyl-2-piperidinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: 3-[3-bromo-4-[(1-phenylpiperidine-2-carbonyl)amino]phenyl]propanoic acid Traditional Name: 3-[3-bromo-4-[(1-phenylpipecoloyl)amino]phenyl]propionic acid Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=C(C=C(C=C2)CCC(=O)O)Br)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=C(C=C(C=C2)CCC(=O)O)Br)C3=CC=CC=C3

InChI

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