3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid

Systemtic Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid Openeye Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid CAS Name: 3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid Traditional Name: 3,5-bis[[4-(2-imidazolin-2-yl)phenyl]carbamoylamino]benzoic acid Formula: C27H26N8O4 MolecularWeight: 526.54654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=C(C=C4)C5=NCCN5

Isomeric SMILES

C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=C(C=C4)C5=NCCN5

InChI

InChI=1S/C27H26N8O4/c36-25(37)18-13-21(34-26(38)32-19-5-1-16(2-6-19)23-28-9-10-29-23)15-22(14-18)35-27(39)33-20-7-3-17(4-8-20)24-30-11-12-31-24/h1-8,13-15H,9-12H2,(H,28,29)(H,30,31)(H,36,37)(H2,32,34,38)(H2,33,35,39)