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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

InChI

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