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

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C20H27N3O4/c1-3-4-5-8-14(2)21-18(24)13-27-19(25)12-11-17-22-16-10-7-6-9-15(16)20(26)23-17/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,21,24)(H,22,23,26)/t14-/m0/s1