1-[(5-bromanylthiophen-2-yl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(m-tolyl)methyl]nipecotic acid Formula: C18H20BrNO2S MolecularWeight: 394.3259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

InChI

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