[1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-5-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] 4-chloranylbenzoate

Systemtic Name: [1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-5-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] 4-chloranylbenzoate Openeye Name: [1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] ester IUPAC Name: [1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-5-methyl-1,5-diazonan-7-yl] ester Formula: C34H49ClN4O5 MolecularWeight: 629.22966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC(C(C1)OC(=O)C2=CC=C(C=C2)Cl)C3CNCCCNCC3O)CCCCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN1CCCN(CC(C(C1)OC(=O)C2=CC=C(C=C2)Cl)C3CNCCCNCC3O)CCCCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C34H49ClN4O5/c1-38-15-5-17-39(16-3-2-6-25-7-12-31-32(20-25)43-19-18-42-31)23-29(28-21-36-13-4-14-37-22-30(28)40)33(24-38)44-34(41)26-8-10-27(35)11-9-26/h7-12,20,28-30,33,36-37,40H,2-6,13-19,21-24H2,1H3