4-[1-azanyl-3-(5-bromanyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-bromanyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[2-[5-bromo-2-(1-piperidyl)phenyl]-1-carbamoyl-propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-bromo-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-bromo-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[2-(5-bromo-2-piperidino-phenyl)-1-carbamoyl-propyl]benzoic acid Formula: C22H25BrN2O3 MolecularWeight: 445.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Br)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)Br)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H25BrN2O3/c1-14(20(21(24)26)15-5-7-16(8-6-15)22(27)28)18-13-17(23)9-10-19(18)25-11-3-2-4-12-25/h5-10,13-14,20H,2-4,11-12H2,1H3,(H2,24,26)(H,27,28)