methyl 4-[3-[4-chloranyl-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-[4-chloranyl-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylamino]-4-oxo-butanoate CAS Name: 4-[3-[4-chloro-2-[[[(5-methyl-2-pyrazinyl)amino]-oxomethyl]amino]phenoxy]propylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylamino]-4-oxobutanoate Traditional Name: 4-[3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylamino]-4-keto-butyric acid methyl ester Formula: C20H24ClN5O5 MolecularWeight: 449.88806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)NC(=O)NC2=C(C=CC(=C2)Cl)OCCCNC(=O)CCC(=O)OC

Isomeric SMILES

CC1=CN=C(C=N1)NC(=O)NC2=C(C=CC(=C2)Cl)OCCCNC(=O)CCC(=O)OC

InChI

InChI=1S/C20H24ClN5O5/c1-13-11-24-17(12-23-13)26-20(29)25-15-10-14(21)4-5-16(15)31-9-3-8-22-18(27)6-7-19(28)30-2/h4-5,10-12H,3,6-9H2,1-2H3,(H,22,27)(H2,24,25,26,29)