[2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]ethyl] ester Formula: C24H27ClN2O6 MolecularWeight: 474.93398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)N4CCCCC4

InChI

InChI=1S/C24H27ClN2O6/c1-30-18-7-5-16(6-8-18)20(27-9-3-2-4-10-27)13-26-22(28)14-31-24(29)17-11-19(25)23-21(12-17)32-15-33-23/h5-8,11-12,20H,2-4,9-10,13-15H2,1H3,(H,26,28)