N,N'-bis(7-butyl-7-ethyl-6-oxidanyl-5-phenyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)dodecanediamide

Systemtic Name: N,N'-bis(7-butyl-7-ethyl-6-oxidanyl-5-phenyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)dodecanediamide Openeye Name: N,N'-bis(7-butyl-7-ethyl-6-hydroxy-5-phenyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)dodecanediamide CAS Name: N,N'-bis(7-butyl-7-ethyl-6-hydroxy-5-phenyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)dodecanediamide IUPAC Name: N,N'-bis(7-butyl-7-ethyl-6-hydroxy-5-phenyl-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)dodecanediamide Traditional Name: N,N'-bis(7-butyl-7-ethyl-6-hydroxy-5-phenyl-5,6,8,9-tetrahydrobenzocyclohepten-3-yl)dodecanediamide Formula: C58H80N2O4 MolecularWeight: 869.2668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC2=C(C=C(C=C2)NC(=O)CCCCCCCCCCC(=O)NC3=CC4=C(CCC(C(C4C5=CC=CC=C5)O)(CC)CCCC)C=C3)C(C1O)C6=CC=CC=C6)CC

Isomeric SMILES

CCCCC1(CCC2=C(C=C(C=C2)NC(=O)CCCCCCCCCCC(=O)NC3=CC4=C(CCC(C(C4C5=CC=CC=C5)O)(CC)CCCC)C=C3)C(C1O)C6=CC=CC=C6)CC

InChI

InChI=1S/C58H80N2O4/c1-5-9-37-57(7-3)39-35-43-31-33-47(41-49(43)53(55(57)63)45-25-19-17-20-26-45)59-51(61)29-23-15-13-11-12-14-16-24-30-52(62)60-48-34-32-44-36-40-58(8-4,38-10-6-2)56(64)54(50(44)42-48)46-27-21-18-22-28-46/h17-22,25-28,31-34,41-42,53-56,63-64H,5-16,23-24,29-30,35-40H2,1-4H3,(H,59,61)(H,60,62)