1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-cyclopentyl-piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-cyclopentyl-piperidine-4-carboxamide; ethanedioic acid Openeye Name: 1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-N-cyclopentyl-piperidine-4-carboxamide; oxalic acid CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-cyclopentyl-4-piperidinecarboxamide; oxalic acid IUPAC Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide; oxalic acid Traditional Name: 1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-N-cyclopentyl-isonipecotamide; oxalic acid Formula: C21H29BrN2O7 MolecularWeight: 501.36816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CCC(CC2)C(=O)NC3CCCC3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CCC(CC2)C(=O)NC3CCCC3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27BrN2O3.C2H2O4/c1-25-17-11-13(10-16(20)18(17)23)12-22-8-6-14(7-9-22)19(24)21-15-4-2-3-5-15;3-1(4)2(5)6/h10-11,14-15,23H,2-9,12H2,1H3,(H,21,24);(H,3,4)(H,5,6)