(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-4-oxo-2-quinazolinyl)propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=CC5=C(C=C4Br)OCCO5

Isomeric SMILES

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=CC5=C(C=C4Br)OCCO5

InChI

InChI=1S/C23H21BrN2O5/c24-17-12-20-19(29-9-10-30-20)11-14(17)13-31-22(27)8-7-21-25-18-4-2-1-3-16(18)23(28)26(21)15-5-6-15/h1-4,11-12,15H,5-10,13H2