bis[5-(6-chloranyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)nonan-5-yl] propanedioate

Systemtic Name: bis[5-(6-chloranyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)nonan-5-yl] propanedioate Openeye Name: bis[1-butyl-1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)pentyl] propanedioate CAS Name: propanedioic acid bis[5-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)nonan-5-yl] ester IUPAC Name: bis[5-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)nonan-5-yl] propanedioate Traditional Name: malonic acid bis[1-butyl-1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)pentyl] ester Formula: C45H60Cl2N2O4 MolecularWeight: 763.8749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C1CCC2=C(C1)NC3=C2C=C(C=C3)Cl)OC(=O)CC(=O)OC(CCCC)(CCCC)C4CCC5=C(C4)NC6=C5C=C(C=C6)Cl

Isomeric SMILES

CCCCC(CCCC)(C1CCC2=C(C1)NC3=C2C=C(C=C3)Cl)OC(=O)CC(=O)OC(CCCC)(CCCC)C4CCC5=C(C4)NC6=C5C=C(C=C6)Cl

InChI

InChI=1S/C45H60Cl2N2O4/c1-5-9-21-44(22-10-6-2,30-13-17-34-36-27-32(46)15-19-38(36)48-40(34)25-30)52-42(50)29-43(51)53-45(23-11-7-3,24-12-8-4)31-14-18-35-37-28-33(47)16-20-39(37)49-41(35)26-31/h15-16,19-20,27-28,30-31,48-49H,5-14,17-18,21-26,29H2,1-4H3