[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(1,4-dimethylpentylamino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(5-methylhexan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(1,4-dimethylpentylamino)-2-keto-ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)CCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)CCC(C)NC(=O)COC(=O)CCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C20H27N3O4/c1-14(2)8-9-15(3)22-18(24)12-27-19(25)10-11-23-13-21-17-7-5-4-6-16(17)20(23)26/h4-7,13-15H,8-12H2,1-3H3,(H,22,24)