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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C18H20BrNO3S MolecularWeight: 410.3253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20BrNO3S/c1-23-15-5-4-13(19)11-14(15)17(16-3-2-10-24-16)20-8-6-12(7-9-20)18(21)22/h2-5,10-12,17H,6-9H2,1H3,(H,21,22)