ethyl 3-[[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxidanylidene-quinazolin-6-yl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-[[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxidanylidene-quinazolin-6-yl]carbamoylamino]propanoate Openeye Name: ethyl 3-[[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxo-quinazolin-6-yl]carbamoylamino]propanoate CAS Name: 3-[[[[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxo-6-quinazolinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]carbamoylamino]propanoate Traditional Name: 3-[[3-(3-chlorobenzyl)-4-keto-2-methyl-quinazolin-6-yl]carbamoylamino]propionic acid ethyl ester Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)CCNC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H23ClN4O4/c1-3-31-20(28)9-10-24-22(30)26-17-7-8-19-18(12-17)21(29)27(14(2)25-19)13-15-5-4-6-16(23)11-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H2,24,26,30)