(2S)-2-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]-2-phenyl-acetate CAS Name: (2S)-2-[[1-oxo-6-(4-oxo-3-quinazolinyl)hexyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]-2-phenylacetate Traditional Name: (2S)-2-[6-(4-ketoquinazolin-3-yl)hexanoylamino]-2-phenyl-acetate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)[O-])NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c26-19(24-20(22(28)29)16-9-3-1-4-10-16)13-5-2-8-14-25-15-23-18-12-7-6-11-17(18)21(25)27/h1,3-4,6-7,9-12,15,20H,2,5,8,13-14H2,(H,24,26)(H,28,29)/p-1/t20-/m0/s1