1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(5-methyl-2-thienyl)methyl]nipecotic acid Formula: C18H20BrNO2S MolecularWeight: 394.3259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H20BrNO2S/c1-12-8-9-16(23-12)17(14-6-2-3-7-15(14)19)20-10-4-5-13(11-20)18(21)22/h2-3,6-9,13,17H,4-5,10-11H2,1H3,(H,21,22)