tert-butyl N-[3-[2-[3-azanyl-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]-2-propan-2-yloxy-phenyl]carbonylphenoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-[3-azanyl-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]-2-propan-2-yloxy-phenyl]carbonylphenoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[2-[3-amino-2-isopropoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]benzoyl]phenoxy]propyl]carbamate CAS Name: N-[3-[2-[[3-amino-4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-propan-2-yloxyphenyl]-oxomethyl]phenoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-[3-amino-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]-2-propan-2-yloxybenzoyl]phenoxy]propyl]carbamate Traditional Name: N-[3-[2-[3-amino-2-isopropoxy-4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]benzoyl]phenoxy]propyl]carbamic acid tert-butyl ester Formula: C44H61N5O8 MolecularWeight: 787.98384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=C(C=C2)C(=O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C)OC(C)C)N)OCCCCCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=C(C(=C(C=C2)C(=O)C3=CC=CC=C3OCCCNC(=O)OC(C)(C)C)OC(C)C)N)OCCCCCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C44H61N5O8/c1-30(2)56-41-34(40(51)32-15-11-12-16-36(32)54-28-14-22-46-43(53)57-44(4,5)6)20-19-33(39(41)45)42(52)48(8)35-21-18-31(3)29-37(35)55-27-13-9-10-17-38(50)49-25-23-47(7)24-26-49/h11-12,15-16,18-21,29-30H,9-10,13-14,17,22-28,45H2,1-8H3,(H,46,53)