ethyl 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(3-bromo-4-hydroxy-5-methoxy-benzyl)nipecotic acid ethyl ester Formula: C16H22BrNO4 MolecularWeight: 372.25418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C16H22BrNO4/c1-3-22-16(20)12-5-4-6-18(10-12)9-11-7-13(17)15(19)14(8-11)21-2/h7-8,12,19H,3-6,9-10H2,1-2H3