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

Systemtic Name: ethyl 1-phenethyl-4-(2-phenoxyphenyl)piperidine-4-carboxylate hydrobromide Openeye Name: ethyl 1-phenethyl-4-(2-phenoxyphenyl)piperidine-4-carboxylate hydrobromide CAS Name: 1-phenethyl-4-(2-phenoxyphenyl)-4-piperidinecarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 1-phenethyl-4-(2-phenoxyphenyl)piperidine-4-carboxylate hydrobromide Traditional Name: 1-phenethyl-4-(2-phenoxyphenyl)isonipecotic acid ethyl ester hydrobromide Formula: C28H32BrNO3 MolecularWeight: 510.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4.Br

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4.Br

InChI

InChI=1S/C28H31NO3.BrH/c1-2-31-27(30)28(18-21-29(22-19-28)20-17-23-11-5-3-6-12-23)25-15-9-10-16-26(25)32-24-13-7-4-8-14-24;/h3-16H,2,17-22H2,1H3;1H