methyl 8-[[2-chloranyl-4-[(5-cyanopyrazin-2-yl)carbamoylamino]-5-methoxy-phenyl]amino]-8-oxidanylidene-octanoate

Systemtic Name: methyl 8-[[2-chloranyl-4-[(5-cyanopyrazin-2-yl)carbamoylamino]-5-methoxy-phenyl]amino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-[2-chloro-4-[(5-cyanopyrazin-2-yl)carbamoylamino]-5-methoxy-anilino]-8-oxo-octanoate CAS Name: 8-[2-chloro-4-[[[(5-cyano-2-pyrazinyl)amino]-oxomethyl]amino]-5-methoxyanilino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[2-chloro-4-[(5-cyanopyrazin-2-yl)carbamoylamino]-5-methoxyanilino]-8-oxooctanoate Traditional Name: 8-[2-chloro-4-[(5-cyanopyrazin-2-yl)carbamoylamino]-5-methoxy-anilino]-8-keto-caprylic acid methyl ester Formula: C22H25ClN6O5 MolecularWeight: 488.9241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)CCCCCCC(=O)OC)Cl)NC(=O)NC2=NC=C(N=C2)C#N

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)CCCCCCC(=O)OC)Cl)NC(=O)NC2=NC=C(N=C2)C#N

InChI

InChI=1S/C22H25ClN6O5/c1-33-18-10-16(27-20(30)7-5-3-4-6-8-21(31)34-2)15(23)9-17(18)28-22(32)29-19-13-25-14(11-24)12-26-19/h9-10,12-13H,3-8H2,1-2H3,(H,27,30)(H2,26,28,29,32)