[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H25N3O4/c24-18(21-12-14-6-2-1-3-7-14)13-27-19(25)11-10-17-22-16-9-5-4-8-15(16)20(26)23-17/h4-5,8-9,14H,1-3,6-7,10-13H2,(H,21,24)(H,22,23,26)