4-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]-ethyl-amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]-ethyl-amino]piperidine-1-carboxylic acid Openeye Name: 4-[[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]-ethyl-amino]piperidine-1-carboxylic acid CAS Name: 4-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]-ethylamino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-ethylamino]piperidine-1-carboxylic acid Traditional Name: 4-[ethyl-(4-keto-3-p-phenetyl-quinazolin-2-yl)amino]piperidine-1-carboxylic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)C(=O)O)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OCC

Isomeric SMILES

CCN(C1CCN(CC1)C(=O)O)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OCC

InChI

InChI=1S/C24H28N4O4/c1-3-27(17-13-15-26(16-14-17)24(30)31)23-25-21-8-6-5-7-20(21)22(29)28(23)18-9-11-19(12-10-18)32-4-2/h5-12,17H,3-4,13-16H2,1-2H3,(H,30,31)