[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C21H29N3O4/c1-14(2)11-24(12-15(3)4)19(25)13-28-20(26)10-9-18-22-17-8-6-5-7-16(17)21(27)23-18/h5-8,14-15H,9-13H2,1-4H3,(H,22,23,27)