methyl 2-[3-(1-adamantylcarbonylamino)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-(1-adamantylcarbonylamino)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(adamantane-1-carbonylamino)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(adamantane-1-carbonylamino)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[3-(adamantane-1-carbonylamino)propanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O6/c1-33-23(31)17-2-3-18-19(9-17)27-20(28-22(18)30)13-34-21(29)4-5-26-24(32)25-10-14-6-15(11-25)8-16(7-14)12-25/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,26,32)(H,27,28,30)