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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

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