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

Systemtic Name: 3-[2-oxidanylidene-3-[4-(4-phenylpiperazin-1-yl)phenyl]imidazolidin-1-yl]benzoic acid Openeye Name: 3-[2-oxo-3-[4-(4-phenylpiperazin-1-yl)phenyl]imidazolidin-1-yl]benzoic acid CAS Name: 3-[2-oxo-3-[4-(4-phenyl-1-piperazinyl)phenyl]-1-imidazolidinyl]benzoic acid IUPAC Name: 3-[2-oxo-3-[4-(4-phenylpiperazin-1-yl)phenyl]imidazolidin-1-yl]benzoic acid Traditional Name: 3-[2-keto-3-[4-(4-phenylpiperazino)phenyl]imidazolidin-1-yl]benzoic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)N4CCN(C4=O)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)N4CCN(C4=O)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H26N4O3/c31-25(32)20-5-4-8-24(19-20)30-18-17-29(26(30)33)23-11-9-22(10-12-23)28-15-13-27(14-16-28)21-6-2-1-3-7-21/h1-12,19H,13-18H2,(H,31,32)