2-[3-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]carbonylphenoxy]ethanoic acid

Systemtic Name: 2-[3-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]carbonylphenoxy]ethanoic acid Openeye Name: 2-[3-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidine-1-carbonyl]phenoxy]acetic acid CAS Name: 2-[3-[[4-[(1H-benzimidazol-2-ylamino)methyl]-1-piperidinyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[3-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidine-1-carbonyl]phenoxy]acetic acid Traditional Name: 2-[3-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidine-1-carbonyl]phenoxy]acetic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC3=CC=CC=C3N2)C(=O)C4=CC(=CC=C4)OCC(=O)O

Isomeric SMILES

C1CN(CCC1CNC2=NC3=CC=CC=C3N2)C(=O)C4=CC(=CC=C4)OCC(=O)O

InChI

InChI=1S/C22H24N4O4/c27-20(28)14-30-17-5-3-4-16(12-17)21(29)26-10-8-15(9-11-26)13-23-22-24-18-6-1-2-7-19(18)25-22/h1-7,12,15H,8-11,13-14H2,(H,27,28)(H2,23,24,25)