[2-(3-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-(3-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-(3-chlorophenyl)-4-oxo-quinazolin-3-yl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-(3-chlorophenyl)-4-oxo-3-quinazolinyl] ester IUPAC Name: [2-(3-chlorophenyl)-4-oxoquinazolin-3-yl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-(3-chlorophenyl)-4-keto-quinazolin-3-yl] ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H27ClN2O3/c1-25(2,3)18-13-11-16(12-14-18)24(30)31-28-22(17-7-6-8-19(26)15-17)27-21-10-5-4-9-20(21)23(28)29/h4-10,15-16,18H,11-14H2,1-3H3