methyl (2S)-3-oxidanyl-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[2-[(E)-2-phenylprop-1-enyl]-4-quinazolinyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[2-[(E)-2-phenylprop-1-enyl]quinazolin-4-yl]amino]propionic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NC2=CC=CC=C2C(=N1)NC(CO)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

C/C(=C\C1=NC2=CC=CC=C2C(=N1)N[C@@H](CO)C(=O)OC)/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-14(15-8-4-3-5-9-15)12-19-22-17-11-7-6-10-16(17)20(24-19)23-18(13-25)21(26)27-2/h3-12,18,25H,13H2,1-2H3,(H,22,23,24)/b14-12+/t18-/m0/s1