5-[(4-bromophenyl)carbonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-[4-(1-piperidyl)-1-piperidyl]benzoic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(1-piperidinyl)-1-piperidinyl]benzoic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-(4-piperidinopiperidino)benzoic acid Formula: C24H28BrN3O3 MolecularWeight: 486.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C24H28BrN3O3/c25-18-6-4-17(5-7-18)23(29)26-19-8-9-22(21(16-19)24(30)31)28-14-10-20(11-15-28)27-12-2-1-3-13-27/h4-9,16,20H,1-3,10-15H2,(H,26,29)(H,30,31)