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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H20BrNO3S/c1-23-15-8-7-12(19)11-13(15)17(16-6-4-10-24-16)20-9-3-2-5-14(20)18(21)22/h4,6-8,10-11,14,17H,2-3,5,9H2,1H3,(H,21,22)