1-[(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-ethyl-2-benzimidazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H31N3O5/c1-5-28-19-9-7-6-8-18(19)26-24(28)22(27-12-10-16(11-13-27)25(29)30)17-14-20(31-2)23(33-4)21(15-17)32-3/h6-9,14-16,22H,5,10-13H2,1-4H3,(H,29,30)