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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OC

InChI

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