methyl 2-chloranyl-5-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzoate CAS Name: 2-chloro-5-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzoate Traditional Name: 2-chloro-5-[4-(4-ketoquinazolin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C20H18ClN3O4/c1-28-20(27)15-11-13(8-9-16(15)21)23-18(25)7-4-10-24-12-22-17-6-3-2-5-14(17)19(24)26/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,23,25)