tert-butyl N-[5-[12-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]dodecanoylamino]pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[12-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]dodecanoylamino]pentyl]carbamate Openeye Name: tert-butyl N-[5-[12-[(6-chloro-2-methoxy-acridin-9-yl)amino]dodecanoylamino]pentyl]carbamate CAS Name: N-[5-[[12-[(6-chloro-2-methoxy-9-acridinyl)amino]-1-oxododecyl]amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[12-[(6-chloro-2-methoxyacridin-9-yl)amino]dodecanoylamino]pentyl]carbamate Traditional Name: N-[5-[12-[(6-chloro-2-methoxy-acridin-9-yl)amino]dodecanoylamino]pentyl]carbamic acid tert-butyl ester Formula: C36H53ClN4O4 MolecularWeight: 641.28342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCNC(=O)CCCCCCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCNC(=O)CCCCCCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC

InChI

InChI=1S/C36H53ClN4O4/c1-36(2,3)45-35(43)40-24-16-12-15-22-38-33(42)17-13-10-8-6-5-7-9-11-14-23-39-34-29-20-18-27(37)25-32(29)41-31-21-19-28(44-4)26-30(31)34/h18-21,25-26H,5-17,22-24H2,1-4H3,(H,38,42)(H,39,41)(H,40,43)