[(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-14(16-4-2-6-19(12-16)24(27)28)29-21(26)17-5-3-11-23(13-17)20(25)15-7-9-18(22)10-8-15/h2,4,6-10,12,14,17H,3,5,11,13H2,1H3/t14-,17+/m1/s1