ethyl 3-[3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[2-hydroxy-3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propoxy]benzoate CAS Name: 3-[2-hydroxy-3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-hydroxy-3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propoxy]benzoate Traditional Name: 3-[2-hydroxy-3-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]propoxy]benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN(C)CC2=NC(=O)C3=CC=CC=C3N2)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN(C)CC2=NC(=O)C3=CC=CC=C3N2)O

InChI

InChI=1S/C22H25N3O5/c1-3-29-22(28)15-7-6-8-17(11-15)30-14-16(26)12-25(2)13-20-23-19-10-5-4-9-18(19)21(27)24-20/h4-11,16,26H,3,12-14H2,1-2H3,(H,23,24,27)