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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

InChI

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