ethyl 2-[2-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenoxy]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[2-[[2-(3-azanylpropoxy)phenyl]carbonylamino]-5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenoxy]ethanoate dihydrochloride Openeye Name: ethyl 2-[2-[[2-(3-aminopropoxy)benzoyl]amino]-5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenoxy]acetate dihydrochloride CAS Name: 2-[2-[[[2-(3-aminopropoxy)phenyl]-oxomethyl]amino]-5-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]phenoxy]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[2-[[2-(3-aminopropoxy)benzoyl]amino]-5-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenoxy]acetate dihydrochloride Traditional Name: 2-[2-[[2-(3-aminopropoxy)benzoyl]amino]-5-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]phenoxy]acetic acid ethyl ester dihydrochloride Formula: C40H55Cl2N5O8 MolecularWeight: 804.7994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)C(=O)N(C)C2=C(C=C(C=C2)C)OCCCCCC(=O)N3CCN(CC3)C)NC(=O)C4=CC=CC=C4OCCCN.Cl.Cl

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)C(=O)N(C)C2=C(C=C(C=C2)C)OCCCCCC(=O)N3CCN(CC3)C)NC(=O)C4=CC=CC=C4OCCCN.Cl.Cl

InChI

InChI=1S/C40H53N5O8.2ClH/c1-5-50-38(47)28-53-35-27-30(16-17-32(35)42-39(48)31-12-8-9-13-34(31)51-25-11-19-41)40(49)44(4)33-18-15-29(2)26-36(33)52-24-10-6-7-14-37(46)45-22-20-43(3)21-23-45;;/h8-9,12-13,15-18,26-27H,5-7,10-11,14,19-25,28,41H2,1-4H3,(H,42,48);2*1H