(7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O5/c22-17-10-14(11-18-19(17)29-13-28-18)12-27-20(25)15-6-8-24(9-7-15)21(26)23-16-4-2-1-3-5-16/h1-5,10-11,15H,6-9,12-13H2,(H,23,26)