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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC2=C(N1)C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC1=NCC2=C(N1)C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

InChI

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