ethyl 3-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]benzoate Openeye Name: ethyl 3-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzoate CAS Name: 3-[[(2S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]benzoic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C(C)C)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c1-4-29-22(28)15-8-7-9-16(12-15)24-20(26)19(14(2)3)25-13-23-18-11-6-5-10-17(18)21(25)27/h5-14,19H,4H2,1-3H3,(H,24,26)/t19-/m0/s1