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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C19H22BrNO3S/c1-2-24-14-7-5-6-13(12-14)18(16-9-10-17(20)25-16)21-11-4-3-8-15(21)19(22)23/h5-7,9-10,12,15,18H,2-4,8,11H2,1H3,(H,22,23)