2-[[3-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methoxy]phenyl]methyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methoxy]phenyl]methyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[[3-[(3-methyl-4-oxo-quinazolin-2-yl)methoxy]phenyl]methyl]amino]acetic acid CAS Name: 2-[[3-[(3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]amino]acetic acid Traditional Name: 2-[benzyl-[3-[(4-keto-3-methyl-quinazolin-2-yl)methoxy]benzyl]amino]acetic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=CC(=C3)CN(CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=CC(=C3)CN(CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C26H25N3O4/c1-28-24(27-23-13-6-5-12-22(23)26(28)32)18-33-21-11-7-10-20(14-21)16-29(17-25(30)31)15-19-8-3-2-4-9-19/h2-14H,15-18H2,1H3,(H,30,31)