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

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-bromanyl-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-bromo-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-bromo-2-methoxy-phenyl)methyl]pipecolinic acid Formula: C22H22BrNO3S MolecularWeight: 460.38398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H22BrNO3S/c1-27-19-10-9-14(23)12-16(19)21(24-11-5-4-7-18(24)22(25)26)17-13-28-20-8-3-2-6-15(17)20/h2-3,6,8-10,12-13,18,21H,4-5,7,11H2,1H3,(H,25,26)