3-[4-(cyclohexylmethyl)-6-oxidanyl-2,5-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[4-(cyclohexylmethyl)-6-oxidanyl-2,5-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid Openeye Name: 3-[4-(cyclohexylmethyl)-6-hydroxy-2,5-dioxo-3H-quinazolin-1-yl]propanoic acid CAS Name: 3-[4-(cyclohexylmethyl)-6-hydroxy-2,5-dioxo-3H-quinazolin-1-yl]propanoic acid IUPAC Name: 3-[4-(cyclohexylmethyl)-6-hydroxy-2,5-dioxo-3H-quinazolin-1-yl]propanoic acid Traditional Name: 3-[4-(cyclohexylmethyl)-6-hydroxy-2,5-diketo-3H-quinazolin-1-yl]propionic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C3C(=CC=C(C3=O)O)N(C(=O)N2)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)CC2=C3C(=CC=C(C3=O)O)N(C(=O)N2)CCC(=O)O

InChI

InChI=1S/C18H22N2O5/c21-14-7-6-13-16(17(14)24)12(10-11-4-2-1-3-5-11)19-18(25)20(13)9-8-15(22)23/h6-7,11,21H,1-5,8-10H2,(H,19,25)(H,22,23)