quinolin-8-ylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: quinolin-8-ylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: 8-quinolylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid 8-quinolylmethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c26-22(29-15-18-6-3-5-16-7-4-12-23-21(16)18)17-10-13-24(14-11-17)19-8-1-2-9-20(19)25(27)28/h1-9,12,17H,10-11,13-15H2