tert-butyl N-[2-[4-[3-(acridin-9-ylamino)propoxy]-3-iodanyl-phenyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-[3-(acridin-9-ylamino)propoxy]-3-iodanyl-phenyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-[3-(acridin-9-ylamino)propoxy]-3-iodo-phenyl]ethyl]carbamate CAS Name: N-[2-[4-[3-(9-acridinylamino)propoxy]-3-iodophenyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[3-(acridin-9-ylamino)propoxy]-3-iodophenyl]ethyl]carbamate Traditional Name: N-[2-[4-[3-(acridin-9-ylamino)propoxy]-3-iodo-phenyl]ethyl]carbamic acid tert-butyl ester Formula: C29H32IN3O3 MolecularWeight: 597.48715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)OCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42)I

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)OCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42)I

InChI

InChI=1S/C29H32IN3O3/c1-29(2,3)36-28(34)32-17-15-20-13-14-26(23(30)19-20)35-18-8-16-31-27-21-9-4-6-11-24(21)33-25-12-7-5-10-22(25)27/h4-7,9-14,19H,8,15-18H2,1-3H3,(H,31,33)(H,32,34)