dicyclopentyl 6-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate

Systemtic Name: dicyclopentyl 6-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate Openeye Name: dicyclopentyl 6-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate CAS Name: 6-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-2,3-dihydro-1,4-benzodioxin-2,3-dicarboxylic acid dicyclopentyl ester IUPAC Name: dicyclopentyl 6-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate Traditional Name: 6-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]-2,3-dihydro-1,4-benzodioxin-2,3-dicarboxylic acid dicyclopentyl ester Formula: C30H36ClNO7 MolecularWeight: 558.06234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C2C(OC3=C(O2)C=CC(=C3)CCNCC(C4=CC(=CC=C4)Cl)O)C(=O)OC5CCCC5

Isomeric SMILES

C1CCC(C1)OC(=O)C2C(OC3=C(O2)C=CC(=C3)CCNCC(C4=CC(=CC=C4)Cl)O)C(=O)OC5CCCC5

InChI

InChI=1S/C30H36ClNO7/c31-21-7-5-6-20(17-21)24(33)18-32-15-14-19-12-13-25-26(16-19)39-28(30(35)37-23-10-3-4-11-23)27(38-25)29(34)36-22-8-1-2-9-22/h5-7,12-13,16-17,22-24,27-28,32-33H,1-4,8-11,14-15,18H2