[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O4/c1-26-21(25-19-5-3-2-4-18(19)23(26)29)6-7-22(28)30-14-20(27)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17H,6-14H2,1H3