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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCCN(CC1C2CNCCCNCC2O)CCCCC3=CC4=C(C=C3)OCO4)C)OC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1(CN(CCCN(CC1C2CNCCCNCC2O)CCCCC3=CC4=C(C=C3)OCO4)C)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C34H49ClN4O5/c1-34(44-33(41)26-9-11-27(35)12-10-26)23-38(2)16-6-18-39(22-29(34)28-20-36-14-5-15-37-21-30(28)40)17-4-3-7-25-8-13-31-32(19-25)43-24-42-31/h8-13,19,28-30,36-37,40H,3-7,14-18,20-24H2,1-2H3