(2S)-3-[4-[2-(2-azido-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: (2S)-3-[4-[2-(2-azido-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: (2S)-3-[4-[2-(2-azido-4-oxo-quinazolin-3-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: (2S)-3-[4-[2-(2-azido-4-oxo-3-quinazolinyl)ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: (2S)-3-[4-[2-(2-azido-4-oxoquinazolin-3-yl)ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: (2S)-3-[4-[2-(2-azido-4-keto-quinazolin-3-yl)ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3N=C2N=[N+]=[N-])C(=O)O

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3N=C2N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C21H21N5O5/c1-2-30-18(20(28)29)13-14-7-9-15(10-8-14)31-12-11-26-19(27)16-5-3-4-6-17(16)23-21(26)24-25-22/h3-10,18H,2,11-13H2,1H3,(H,28,29)/t18-/m0/s1