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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O

InChI

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