[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-chlorobenzoyl)nipecotic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H25ClN2O6 MolecularWeight: 472.9181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H25ClN2O6/c1-15(22(28)26-19-8-9-20-21(13-19)32-12-11-31-20)33-24(30)17-3-2-10-27(14-17)23(29)16-4-6-18(25)7-5-16/h4-9,13,15,17H,2-3,10-12,14H2,1H3,(H,26,28)