ethyl 1-methyl-4-(2-phenoxyphenyl)piperidine-4-carboxylate hydrobromide

Systemtic Name: ethyl 1-methyl-4-(2-phenoxyphenyl)piperidine-4-carboxylate hydrobromide Openeye Name: ethyl 1-methyl-4-(2-phenoxyphenyl)piperidine-4-carboxylate hydrobromide CAS Name: 1-methyl-4-(2-phenoxyphenyl)-4-piperidinecarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 1-methyl-4-(2-phenoxyphenyl)piperidine-4-carboxylate hydrobromide Traditional Name: 1-methyl-4-(2-phenoxyphenyl)isonipecotic acid ethyl ester hydrobromide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2OC3=CC=CC=C3.Br

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2OC3=CC=CC=C3.Br

InChI

InChI=1S/C21H25NO3.BrH/c1-3-24-20(23)21(13-15-22(2)16-14-21)18-11-7-8-12-19(18)25-17-9-5-4-6-10-17;/h4-12H,3,13-16H2,1-2H3;1H