3-[4-[(E)-3-(phenethylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid

Systemtic Name: 3-[4-[(E)-3-(phenethylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(phenethylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid CAS Name: 3-[4-[(E)-3-[[oxo-(phenethylamino)methyl]amino]prop-1-enyl]-2-quinazolinyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(phenethylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(phenethylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propionic acid Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NCC=CC2=NC(=NC3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC/C=C/C2=NC(=NC3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C23H24N4O3/c28-22(29)13-12-21-26-19-10-5-4-9-18(19)20(27-21)11-6-15-24-23(30)25-16-14-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,28,29)(H2,24,25,30)/b11-6+