1-[1-benzothiophen-2-yl-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(p-phenetyl)methyl]isonipecotic acid Formula: C23H25NO3S MolecularWeight: 395.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

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