methyl 2-[4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]butanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 2-[4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]butanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 4-chloro-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoylamino]benzoate CAS Name: 4-chloro-2-[[4-(2,4-dioxo-1H-quinazolin-3-yl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoylamino]benzoate Traditional Name: 4-chloro-2-[4-(2,4-diketo-1H-quinazolin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H18ClN3O5/c1-29-19(27)14-9-8-12(21)11-16(14)22-17(25)7-4-10-24-18(26)13-5-2-3-6-15(13)23-20(24)28/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,22,25)(H,23,28)