[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3O4/c1-15(20(26)22-13-16-7-3-2-4-8-16)28-19(25)11-12-24-14-23-18-10-6-5-9-17(18)21(24)27/h5-6,9-10,14-16H,2-4,7-8,11-13H2,1H3,(H,22,26)