1-[1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3,4-dimethoxyphenyl)methyl]pipecolinic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OC

InChI

InChI=1S/C23H25NO4S/c1-27-19-11-10-15(13-20(19)28-2)22(24-12-6-5-8-18(24)23(25)26)17-14-29-21-9-4-3-7-16(17)21/h3-4,7,9-11,13-14,18,22H,5-6,8,12H2,1-2H3,(H,25,26)