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

Systemtic Name: 2-[[4-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methoxy]phenyl]methyl-(phenylmethyl)amino]butanoic acid Openeye Name: 2-[benzyl-[[4-[(3-methyl-4-oxo-quinazolin-2-yl)methoxy]phenyl]methyl]amino]butanoic acid CAS Name: 2-[[4-[(3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 2-[benzyl-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]amino]butanoic acid Traditional Name: 2-[benzyl-[4-[(4-keto-3-methyl-quinazolin-2-yl)methoxy]benzyl]amino]butyric acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCC(C(=O)O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C28H29N3O4/c1-3-25(28(33)34)31(17-20-9-5-4-6-10-20)18-21-13-15-22(16-14-21)35-19-26-29-24-12-8-7-11-23(24)27(32)30(26)2/h4-16,25H,3,17-19H2,1-2H3,(H,33,34)