ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl-piperidine-4-carboxylate phosphate

Systemtic Name: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl-piperidine-4-carboxylate phosphate Openeye Name: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl-piperidine-4-carboxylate phosphate CAS Name: 1-[2-(4-aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester phosphate IUPAC Name: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate phosphate Traditional Name: 1-[2-(4-aminophenyl)ethyl]-4-phenyl-isonipecotic acid ethyl ester phosphate Formula: C22H28N2O6P-3 MolecularWeight: 447.441281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C22H28N2O2.H3O4P/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18;1-5(2,3)4/h3-11H,2,12-17,23H2,1H3;(H3,1,2,3,4)/p-3