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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-thienyl)methyl]isonipecotic acid Formula: C19H21BrClNO3S MolecularWeight: 458.79694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(S2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(S2)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H21BrClNO3S/c1-2-25-15-4-3-13(20)11-14(15)18(16-5-6-17(21)26-16)22-9-7-12(8-10-22)19(23)24/h3-6,11-12,18H,2,7-10H2,1H3,(H,23,24)