1-[(2-bromophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C18H20BrNO2S MolecularWeight: 394.3259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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