2-[[4-[3-(1H-benzimidazol-2-ylamino)propoxy]phenyl]methyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[3-(1H-benzimidazol-2-ylamino)propoxy]phenyl]methyl-phenyl-amino]ethanoic acid Openeye Name: 2-[N-[[4-[3-(1H-benzimidazol-2-ylamino)propoxy]phenyl]methyl]anilino]acetic acid CAS Name: 2-[N-[[4-[3-(1H-benzimidazol-2-ylamino)propoxy]phenyl]methyl]anilino]acetic acid IUPAC Name: 2-[N-[[4-[3-(1H-benzimidazol-2-ylamino)propoxy]phenyl]methyl]anilino]acetic acid Traditional Name: 2-(N-[4-[3-(1H-benzimidazol-2-ylamino)propoxy]benzyl]anilino)acetic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC2=CC=C(C=C2)OCCCNC3=NC4=CC=CC=C4N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CC2=CC=C(C=C2)OCCCNC3=NC4=CC=CC=C4N3)CC(=O)O

InChI

InChI=1S/C25H26N4O3/c30-24(31)18-29(20-7-2-1-3-8-20)17-19-11-13-21(14-12-19)32-16-6-15-26-25-27-22-9-4-5-10-23(22)28-25/h1-5,7-14H,6,15-18H2,(H,30,31)(H2,26,27,28)