methyl 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]ethanoate

Systemtic Name: methyl 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]ethanoate Openeye Name: methyl 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]acetate 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 methyl ester IUPAC Name: methyl 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]acetate 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 methyl ester Formula: C44H59N5O10 MolecularWeight: 817.96676

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

InChI

InChI=1S/C44H59N5O10/c1-31-17-20-35(38(28-31)57-26-12-8-9-16-39(50)49-24-22-47(5)23-25-49)48(6)42(53)32-18-19-34(37(29-32)58-30-40(51)55-7)46-41(52)33-14-10-11-15-36(33)56-27-13-21-45-43(54)59-44(2,3)4/h10-11,14-15,17-20,28-29H,8-9,12-13,16,21-27,30H2,1-7H3,(H,45,54)(H,46,52)