3-[4-[3-(2-methyl-1,4-dihydroquinazolin-7-yl)-2-oxidanylidene-imidazolidin-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(2-methyl-1,4-dihydroquinazolin-7-yl)-2-oxidanylidene-imidazolidin-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-methyl-1,4-dihydroquinazolin-7-yl)-2-oxo-imidazolidin-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(2-methyl-1,4-dihydroquinazolin-7-yl)-2-oxo-4-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-methyl-1,4-dihydroquinazolin-7-yl)-2-oxoimidazolidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(2-methyl-1,4-dihydroquinazolin-7-yl)imidazolidin-4-yl]phenyl]propionic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC2=C(N1)C=C(C=C2)N3C(CNC3=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC1=NCC2=C(N1)C=C(C=C2)N3C(CNC3=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C21H22N4O3/c1-13-22-11-16-7-8-17(10-18(16)24-13)25-19(12-23-21(25)28)15-5-2-14(3-6-15)4-9-20(26)27/h2-3,5-8,10,19H,4,9,11-12H2,1H3,(H,22,24)(H,23,28)(H,26,27)