3-[(2-pentan-3-ylquinazolin-4-yl)amino]propanoic acid

Systemtic Name: 3-[(2-pentan-3-ylquinazolin-4-yl)amino]propanoic acid Openeye Name: 3-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]propanoic acid CAS Name: 3-[(2-pentan-3-yl-4-quinazolinyl)amino]propanoic acid IUPAC Name: 3-[(2-pentan-3-ylquinazolin-4-yl)amino]propanoic acid Traditional Name: 3-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]propionic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=CC=CC=C2C(=N1)NCCC(=O)O

Isomeric SMILES

CCC(CC)C1=NC2=CC=CC=C2C(=N1)NCCC(=O)O

InChI

InChI=1S/C16H21N3O2/c1-3-11(4-2)15-18-13-8-6-5-7-12(13)16(19-15)17-10-9-14(20)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)(H,17,18,19)