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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

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