1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-methyl-2-thienyl)methyl]isonipecotic acid Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H24BrNO4S/c1-12-8-18(27-11-12)19(22-6-4-13(5-7-22)20(23)24)14-9-16(25-2)17(26-3)10-15(14)21/h8-11,13,19H,4-7H2,1-3H3,(H,23,24)