(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N3O4/c1-14-3-2-4-18-21(14)26-19(27-22(18)29)13-31-20(28)5-6-25-23(30)24-10-15-7-16(11-24)9-17(8-15)12-24/h2-4,15-17H,5-13H2,1H3,(H,25,30)(H,26,27,29)