[1,5-bis[4-(1,3-benzodioxol-5-yl)butyl]-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] 4-chloranylbenzoate

Systemtic Name: [1,5-bis[4-(1,3-benzodioxol-5-yl)butyl]-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] 4-chloranylbenzoate Openeye Name: [1,5-bis[4-(1,3-benzodioxol-5-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1,5-bis[4-(1,3-benzodioxol-5-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] ester IUPAC Name: [1,5-bis[4-(1,3-benzodioxol-5-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1,5-bis[4-(1,3-benzodioxol-5-yl)butyl]-8-(8-hydroxy-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] ester Formula: C43H57ClN4O7 MolecularWeight: 777.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C(CNC1)O)C2CN(CCCN(CC2OC(=O)C3=CC=C(C=C3)Cl)CCCCC4=CC5=C(C=C4)OCO5)CCCCC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CNCC(C(CNC1)O)C2CN(CCCN(CC2OC(=O)C3=CC=C(C=C3)Cl)CCCCC4=CC5=C(C=C4)OCO5)CCCCC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C43H57ClN4O7/c44-34-13-11-33(12-14-34)43(50)55-42-28-48(20-4-2-8-32-10-16-39-41(24-32)54-30-52-39)22-6-21-47(27-36(42)35-25-45-17-5-18-46-26-37(35)49)19-3-1-7-31-9-15-38-40(23-31)53-29-51-38/h9-16,23-24,35-37,42,45-46,49H,1-8,17-22,25-30H2