ethyl 5-[2-[[4-[[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-3-nitro-phenyl]carbonylamino]-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]-2-methyl-pentanoate

Systemtic Name: ethyl 5-[2-[[4-[[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-3-nitro-phenyl]carbonylamino]-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-phenoxy]-2-methyl-pentanoate Openeye Name: ethyl 5-[2-[[4-[[2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-3-nitro-benzoyl]amino]-3-methoxy-benzoyl]-methyl-amino]-5-methyl-phenoxy]-2-methyl-pentanoate CAS Name: 5-[2-[[[4-[[[2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-nitrophenyl]-oxomethyl]amino]-3-methoxyphenyl]-oxomethyl]-methylamino]-5-methylphenoxy]-2-methylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-[[4-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-nitrobenzoyl]amino]-3-methoxybenzoyl]-methylamino]-5-methylphenoxy]-2-methylpentanoate Traditional Name: 5-[2-[[3-methoxy-4-[[3-nitro-2-[(2-phthalimidoacetyl)amino]benzoyl]amino]benzoyl]-methyl-amino]-5-methyl-phenoxy]-2-methyl-valeric acid ethyl ester Formula: C41H41N5O11 MolecularWeight: 779.79114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCCOC1=C(C=CC(=C1)C)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])NC(=O)CN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

CCOC(=O)C(C)CCCOC1=C(C=CC(=C1)C)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])NC(=O)CN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C41H41N5O11/c1-6-56-41(52)25(3)11-10-20-57-34-21-24(2)16-19-31(34)44(4)38(49)26-17-18-30(33(22-26)55-5)42-37(48)29-14-9-15-32(46(53)54)36(29)43-35(47)23-45-39(50)27-12-7-8-13-28(27)40(45)51/h7-9,12-19,21-22,25H,6,10-11,20,23H2,1-5H3,(H,42,48)(H,43,47)