tert-butyl N-[3-[2-[[4-[[2-[6-[3-(dimethylamino)propylamino]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-[[4-[[2-[6-[3-(dimethylamino)propylamino]-6-oxidanylidene-hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[2-[[4-[[2-[6-[3-(dimethylamino)propylamino]-6-oxo-hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamate CAS Name: N-[3-[2-[[4-[[2-[6-[3-(dimethylamino)propylamino]-6-oxohexoxy]-N,4-dimethylanilino]-oxomethyl]-2-methoxyanilino]-oxomethyl]phenoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-[[4-[[2-[6-[3-(dimethylamino)propylamino]-6-oxohexoxy]-4-methylphenyl]-methylcarbamoyl]-2-methoxyphenyl]carbamoyl]phenoxy]propyl]carbamate Traditional Name: N-[3-[2-[[4-[[2-[6-[3-(dimethylamino)propylamino]-6-keto-hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]carbamoyl]phenoxy]propyl]carbamic acid tert-butyl ester Formula: C42H59N5O8 MolecularWeight: 761.94656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C)OC)OCCCCCC(=O)NCCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C)OC)OCCCCCC(=O)NCCCN(C)C

InChI

InChI=1S/C42H59N5O8/c1-30-19-22-34(37(28-30)54-26-13-9-10-18-38(48)43-23-14-25-46(5)6)47(7)40(50)31-20-21-33(36(29-31)52-8)45-39(49)32-16-11-12-17-35(32)53-27-15-24-44-41(51)55-42(2,3)4/h11-12,16-17,19-22,28-29H,9-10,13-15,18,23-27H2,1-8H3,(H,43,48)(H,44,51)(H,45,49)