[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H27N3O4/c27-20(26-23-10-14-7-15(11-23)9-16(8-14)12-23)13-30-21(28)6-5-19-24-18-4-2-1-3-17(18)22(29)25-19/h1-4,14-16H,5-13H2,(H,26,27)(H,24,25,29)