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

Systemtic Name: 1-[(1-methylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-methyl-2-benzimidazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-methylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H29N3O5/c1-26-18-8-6-5-7-17(18)25-23(26)21(27-11-9-15(10-12-27)24(28)29)16-13-19(30-2)22(32-4)20(14-16)31-3/h5-8,13-15,21H,9-12H2,1-4H3,(H,28,29)