ethyl 3-[[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]benzofuran-2-carboxylate CAS Name: 3-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]methyl]coumarilic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H21N3O4/c1-3-28-22(27)20-16(14-8-5-7-11-18(14)29-20)12-25(2)13-19-23-17-10-6-4-9-15(17)21(26)24-19/h4-11H,3,12-13H2,1-2H3,(H,23,24,26)