[2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [2-[[(1S)-1-methylheptyl]amino]-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [2-keto-2-[[(1S)-1-methylheptyl]amino]ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)COC(=O)CN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)COC(=O)CN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C20H27N3O4/c1-3-4-5-6-9-15(2)22-18(24)13-27-19(25)12-23-14-21-17-11-8-7-10-16(17)20(23)26/h7-8,10-11,14-15H,3-6,9,12-13H2,1-2H3,(H,22,24)/t15-/m0/s1