3-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]propanoic acid

Systemtic Name: 3-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]propanoic acid Openeye Name: 3-(3-benzyl-6-morpholino-4-oxo-quinazolin-2-yl)propanoic acid CAS Name: 3-[6-(4-morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]propanoic acid IUPAC Name: 3-(3-benzyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)propanoic acid Traditional Name: 3-(3-benzyl-4-keto-6-morpholino-quinazolin-2-yl)propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C22H23N3O4/c26-21(27)9-8-20-23-19-7-6-17(24-10-12-29-13-11-24)14-18(19)22(28)25(20)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,26,27)