4-[(2S)-4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate

Systemtic Name: 4-[(2S)-4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate Openeye Name: 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate CAS Name: 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate IUPAC Name: 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate Traditional Name: 4-[(2S)-4-keto-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate Formula: C18H17N2O3- MolecularWeight: 309.33918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H18N2O3/c1-2-11-20-16(12-7-9-13(10-8-12)18(22)23)19-15-6-4-3-5-14(15)17(20)21/h3-10,16,19H,2,11H2,1H3,(H,22,23)/p-1/t16-/m0/s1