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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H20BrNO2S/c1-12-8-9-16(23-12)17(13-5-4-6-14(19)11-13)20-10-3-2-7-15(20)18(21)22/h4-6,8-9,11,15,17H,2-3,7,10H2,1H3,(H,21,22)