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

Systemtic Name: 1-[(3-bromophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(5-methyl-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O

InChI

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