3-[2-oxidanylidene-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]imidazolidin-1-yl]benzoic acid

Systemtic Name: 3-[2-oxidanylidene-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]imidazolidin-1-yl]benzoic acid Openeye Name: 3-[2-oxo-3-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]imidazolidin-1-yl]benzoic acid CAS Name: 3-[2-oxo-3-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]-1-imidazolidinyl]benzoic acid IUPAC Name: 3-[2-oxo-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]imidazolidin-1-yl]benzoic acid Traditional Name: 3-[2-keto-3-[4-(4-piperidinopiperidino)phenyl]imidazolidin-1-yl]benzoic acid Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)N4CCN(C4=O)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)N4CCN(C4=O)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H32N4O3/c31-25(32)20-5-4-6-24(19-20)30-18-17-29(26(30)33)23-9-7-21(8-10-23)28-15-11-22(12-16-28)27-13-2-1-3-14-27/h4-10,19,22H,1-3,11-18H2,(H,31,32)