(2S)-2-(2-butyl-4-oxidanylidene-quinazolin-3-yl)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(2-butyl-4-oxidanylidene-quinazolin-3-yl)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(2-butyl-4-oxo-quinazolin-3-yl)-3-phenyl-propanoic acid CAS Name: (2S)-2-(2-butyl-4-oxo-3-quinazolinyl)-3-phenylpropanoic acid IUPAC Name: (2S)-2-(2-butyl-4-oxoquinazolin-3-yl)-3-phenylpropanoic acid Traditional Name: (2S)-2-(2-butyl-4-keto-quinazolin-3-yl)-3-phenyl-propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=O)N1C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=O)N1[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-2-3-13-19-22-17-12-8-7-11-16(17)20(24)23(19)18(21(25)26)14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3,(H,25,26)/t18-/m0/s1