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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]isonipecotic 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)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CSC4=CC=CC=C43)N5CCC(CC5)C(=O)O

InChI

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