ethyl 1-[(4-nitrophenyl)methyl]-4-phenethyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-nitrophenyl)methyl]-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-nitrophenyl)methyl]-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[(4-nitrophenyl)methyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-nitrophenyl)methyl]-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-(4-nitrobenzyl)-4-phenethyl-isonipecotic acid ethyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-2-29-22(26)23(13-12-19-6-4-3-5-7-19)14-16-24(17-15-23)18-20-8-10-21(11-9-20)25(27)28/h3-11H,2,12-18H2,1H3