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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]pipecolinic acid Formula: C30H31NO5S MolecularWeight: 517.63584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CSC4=CC=CC=C43)N5CCCCC5C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CSC4=CC=CC=C43)N5CCCCC5C(=O)O

InChI

InChI=1S/C30H31NO5S/c1-34-25-16-21(17-26(35-2)29(25)36-18-20-10-4-3-5-11-20)28(31-15-9-8-13-24(31)30(32)33)23-19-37-27-14-7-6-12-22(23)27/h3-7,10-12,14,16-17,19,24,28H,8-9,13,15,18H2,1-2H3,(H,32,33)