1-[3-[3-tert-butyl-10-[3-[(decylcarbamoylamino)methyl]phenyl]anthracen-9-yl]phenyl]-3-decyl-urea

Systemtic Name: 1-[3-[3-tert-butyl-10-[3-[(decylcarbamoylamino)methyl]phenyl]anthracen-9-yl]phenyl]-3-decyl-urea Openeye Name: 1-[3-[3-tert-butyl-10-[3-[(decylcarbamoylamino)methyl]phenyl]-9-anthryl]phenyl]-3-decyl-urea CAS Name: 1-[3-[3-tert-butyl-10-[3-[[[(decylamino)-oxomethyl]amino]methyl]phenyl]-9-anthracenyl]phenyl]-3-decylurea IUPAC Name: 1-[3-[3-tert-butyl-10-[3-[(decylcarbamoylamino)methyl]phenyl]anthracen-9-yl]phenyl]-3-decylurea Traditional Name: 1-[3-[3-tert-butyl-10-[3-[(decylcarbamoylamino)methyl]phenyl]-9-anthryl]phenyl]-3-decyl-urea Formula: C53H72N4O2 MolecularWeight: 797.16438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)NCC1=CC=CC(=C1)C2=C3C=C(C=CC3=C(C4=CC=CC=C42)C5=CC(=CC=C5)NC(=O)NCCCCCCCCCC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCNC(=O)NCC1=CC=CC(=C1)C2=C3C=C(C=CC3=C(C4=CC=CC=C42)C5=CC(=CC=C5)NC(=O)NCCCCCCCCCC)C(C)(C)C

InChI

InChI=1S/C53H72N4O2/c1-6-8-10-12-14-16-18-22-34-54-51(58)56-39-40-26-24-27-41(36-40)50-46-31-21-20-30-45(46)49(47-33-32-43(38-48(47)50)53(3,4)5)42-28-25-29-44(37-42)57-52(59)55-35-23-19-17-15-13-11-9-7-2/h20-21,24-33,36-38H,6-19,22-23,34-35,39H2,1-5H3,(H2,54,56,58)(H2,55,57,59)