methyl 3-[3-[4-chloranyl-2-[(5-cyanopyridin-2-yl)carbamoylamino]phenoxy]propylcarbamoylamino]propanoate

Systemtic Name: methyl 3-[3-[4-chloranyl-2-[(5-cyanopyridin-2-yl)carbamoylamino]phenoxy]propylcarbamoylamino]propanoate Openeye Name: methyl 3-[3-[4-chloro-2-[(5-cyano-2-pyridyl)carbamoylamino]phenoxy]propylcarbamoylamino]propanoate CAS Name: 3-[[[3-[4-chloro-2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]phenoxy]propylamino]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-chloro-2-[(5-cyanopyridin-2-yl)carbamoylamino]phenoxy]propylcarbamoylamino]propanoate Traditional Name: 3-[3-[4-chloro-2-[(5-cyano-2-pyridyl)carbamoylamino]phenoxy]propylcarbamoylamino]propionic acid methyl ester Formula: C21H23ClN6O5 MolecularWeight: 474.89752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)NCCCOC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCNC(=O)NCCCOC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=C(C=C2)C#N

InChI

InChI=1S/C21H23ClN6O5/c1-32-19(29)7-9-25-20(30)24-8-2-10-33-17-5-4-15(22)11-16(17)27-21(31)28-18-6-3-14(12-23)13-26-18/h3-6,11,13H,2,7-10H2,1H3,(H2,24,25,30)(H2,26,27,28,31)