1-[(5-bromanylthiophen-2-yl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-m-phenetyl-methyl]isonipecotic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3S/c1-2-24-15-5-3-4-14(12-15)18(16-6-7-17(20)25-16)21-10-8-13(9-11-21)19(22)23/h3-7,12-13,18H,2,8-11H2,1H3,(H,22,23)