1-[1-benzothiophen-3-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-bromo-2-ethoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-bromo-2-ethoxy-phenyl)methyl]nipecotic acid Formula: C23H24BrNO3S MolecularWeight: 474.41056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H24BrNO3S/c1-2-28-20-10-9-16(24)12-18(20)22(25-11-5-6-15(13-25)23(26)27)19-14-29-21-8-4-3-7-17(19)21/h3-4,7-10,12,14-15,22H,2,5-6,11,13H2,1H3,(H,26,27)