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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3,4-dimethoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC

InChI

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