1-[1-benzothiophen-3-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-bromo-2-ethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-bromo-2-ethoxy-phenyl)methyl]isonipecotic acid Formula: C23H24BrNO3S MolecularWeight: 474.41056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

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