1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-thienyl)methyl]nipecotic acid Formula: C19H21BrClNO3S MolecularWeight: 458.79694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H21BrClNO3S/c1-2-25-15-6-5-13(20)10-14(15)18(16-7-8-17(21)26-16)22-9-3-4-12(11-22)19(23)24/h5-8,10,12,18H,2-4,9,11H2,1H3,(H,23,24)