[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-15(21-24-18-10-6-5-9-17(18)22(28)25-21)29-20(27)13-14-23-19(26)12-11-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,23,26)(H,24,25,28)/b12-11+/t15-/m1/s1