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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-ethylphenyl)methyl]nipecotic acid Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22BrNO2S/c1-2-13-5-7-14(8-6-13)18(16-9-10-17(20)24-16)21-11-3-4-15(12-21)19(22)23/h5-10,15,18H,2-4,11-12H2,1H3,(H,22,23)