1-[(5-chloranyl-2-methoxy-phenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylimidazol-2-yl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-[1-(phenylmethyl)-2-imidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylimidazol-2-yl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylimidazol-2-yl)-(5-chloro-2-methoxy-phenyl)methyl]isonipecotic acid Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H26ClN3O3/c1-31-21-8-7-19(25)15-20(21)22(27-12-9-18(10-13-27)24(29)30)23-26-11-14-28(23)16-17-5-3-2-4-6-17/h2-8,11,14-15,18,22H,9-10,12-13,16H2,1H3,(H,29,30)