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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3O4/c1-14-7-3-5-9-17(14)23-20(26)15(2)28-19(25)11-12-24-13-22-18-10-6-4-8-16(18)21(24)27/h4,6,8,10,13-15,17H,3,5,7,9,11-12H2,1-2H3,(H,23,26)