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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(m-phenetyl)methyl]nipecotic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H25NO3S/c1-2-27-19-10-5-8-17(13-19)22(24-12-6-9-18(15-24)23(25)26)21-14-16-7-3-4-11-20(16)28-21/h3-5,7-8,10-11,13-14,18,22H,2,6,9,12,15H2,1H3,(H,25,26)