1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]isonipecotic acid Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C29H30N2O5S/c1-34-23-16-21(17-24(35-2)27(23)36-18-19-8-4-3-5-9-19)26(31-14-12-20(13-15-31)29(32)33)28-30-22-10-6-7-11-25(22)37-28/h3-11,16-17,20,26H,12-15,18H2,1-2H3,(H,32,33)