3-[[2-(4-methoxyphenyl)quinazolin-4-yl]-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[[2-(4-methoxyphenyl)quinazolin-4-yl]-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]propanoic acid CAS Name: 3-[[2-(4-methoxyphenyl)-4-quinazolinyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]propanoic acid Traditional Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]propionic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCC(=O)O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCC(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-31-20-13-11-19(12-14-20)24-26-22-10-6-5-9-21(22)25(27-24)28(16-15-23(29)30)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,29,30)