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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]pipecolinic 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)N5CCCCC5C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCCCC5C(=O)O

InChI

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