4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoic acid

Systemtic Name: 4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoic acid Openeye Name: 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoic acid CAS Name: 4-[[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propylamino]-oxomethyl]benzoic acid IUPAC Name: 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propylcarbamoyl]benzoic acid Traditional Name: 4-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-propyl-carbamoyl]benzoic acid Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18ClN3O4/c1-2-9-24(19(26)12-3-5-13(6-4-12)20(27)28)11-17-22-16-10-14(21)7-8-15(16)18(25)23-17/h3-8,10H,2,9,11H2,1H3,(H,27,28)(H,22,23,25)