N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-15-8-9-21(29-3)18(14-15)16(2)23-22(26)17-10-12-24(13-11-17)19-6-4-5-7-20(19)25(27)28/h4-9,14,16-17H,10-13H2,1-3H3,(H,23,26)/t16-/m0/s1