tert-butyl N-[3-[2-[3-azanyl-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]-2-propoxy-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-propoxy-phenyl]carbonylphenoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[2-[3-amino-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]-2-propoxy-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-propoxyphenyl]-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-propoxybenzoyl]phenoxy]propyl]carbamate Traditional Name: N-[3-[2-[3-amino-4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-propoxy-benzoyl]phenoxy]propyl]carbamic acid tert-butyl ester Formula: C44H61N5O8 MolecularWeight: 787.98384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1N)C(=O)N(C)C2=C(C=C(C=C2)C)OCCCCCC(=O)N3CCN(CC3)C)C(=O)C4=CC=CC=C4OCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=C(C=CC(=C1N)C(=O)N(C)C2=C(C=C(C=C2)C)OCCCCCC(=O)N3CCN(CC3)C)C(=O)C4=CC=CC=C4OCCCNC(=O)OC(C)(C)C

InChI

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