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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

InChI

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