1-[(5-bromanyl-2-methoxy-phenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-thienyl)methyl]nipecotic acid Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H20BrNO3S/c1-23-16-5-4-14(19)9-15(16)17(13-6-8-24-11-13)20-7-2-3-12(10-20)18(21)22/h4-6,8-9,11-12,17H,2-3,7,10H2,1H3,(H,21,22)