2-[5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]-2-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]carbonylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]-2-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]carbonylamino]phenoxy]ethanoic acid Openeye Name: 2-[2-[[2-[3-(tert-butoxycarbonylamino)propoxy]benzoyl]amino]-5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenoxy]acetic acid CAS Name: 2-[5-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-[[[2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]phenyl]-oxomethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]-2-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoyl]amino]phenoxy]acetic acid Traditional Name: 2-[2-[[2-[3-(tert-butoxycarbonylamino)propoxy]benzoyl]amino]-5-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]phenoxy]acetic acid Formula: C43H57N5O10 MolecularWeight: 803.94018

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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)OCC(=O)O)OCCCCCC(=O)N4CCN(CC4)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)OCC(=O)O)OCCCCCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C43H57N5O10/c1-30-16-19-34(37(27-30)56-25-11-7-8-15-38(49)48-23-21-46(5)22-24-48)47(6)41(53)31-17-18-33(36(28-31)57-29-39(50)51)45-40(52)32-13-9-10-14-35(32)55-26-12-20-44-42(54)58-43(2,3)4/h9-10,13-14,16-19,27-28H,7-8,11-12,15,20-26,29H2,1-6H3,(H,44,54)(H,45,52)(H,50,51)