ethyl 1-(cyclooctylmethyl)-4-[(2-nitrophenyl)amino]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(cyclooctylmethyl)-4-[(2-nitrophenyl)amino]piperidine-3-carboxylate Openeye Name: ethyl 1-(cyclooctylmethyl)-4-(2-nitroanilino)piperidine-3-carboxylate CAS Name: 1-(cyclooctylmethyl)-4-(2-nitroanilino)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclooctylmethyl)-4-(2-nitroanilino)piperidine-3-carboxylate Traditional Name: 1-(cyclooctylmethyl)-4-(2-nitroanilino)nipecotic acid ethyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1NC2=CC=CC=C2[N+](=O)[O-])CC3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1CN(CCC1NC2=CC=CC=C2[N+](=O)[O-])CC3CCCCCCC3

InChI

InChI=1S/C23H35N3O4/c1-2-30-23(27)19-17-25(16-18-10-6-4-3-5-7-11-18)15-14-20(19)24-21-12-8-9-13-22(21)26(28)29/h8-9,12-13,18-20,24H,2-7,10-11,14-17H2,1H3