N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(2-nitrophenyl)isonipecotamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-17-14-18(2)16-20(15-17)30-13-12-24(3)23(27)19-8-10-25(11-9-19)21-6-4-5-7-22(21)26(28)29/h4-7,14-16,19H,8-13H2,1-3H3