3-[4-[3-(4,4-dimethyl-1H-quinazolin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4,4-dimethyl-1H-quinazolin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4,4-dimethyl-1H-quinazolin-7-yl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4,4-dimethyl-1H-quinazolin-7-yl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4,4-dimethyl-1H-quinazolin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4,4-dimethyl-1H-quinazolin-7-yl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-22(2)18-9-8-17(13-19(18)23-14-24-22)26-12-11-25(21(26)29)16-6-3-15(4-7-16)5-10-20(27)28/h3-4,6-9,13-14H,5,10-12H2,1-2H3,(H,23,24)(H,27,28)