(2S)-2-[(2-chloranylquinazolin-4-yl)amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(2-chloranylquinazolin-4-yl)amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-chloro-4-quinazolinyl)amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-3-phenyl-propionate Formula: C17H13ClN3O2- MolecularWeight: 326.75702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC2=NC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC2=NC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C17H14ClN3O2/c18-17-20-13-9-5-4-8-12(13)15(21-17)19-14(16(22)23)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,22,23)(H,19,20,21)/p-1/t14-/m0/s1