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

Systemtic Name: 3-[4-[(E)-3-(phenylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(phenylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid CAS Name: 3-[4-[(E)-3-[[anilino(oxo)methyl]amino]prop-1-enyl]-2-quinazolinyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(phenylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(phenylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propionic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c26-20(27)13-12-19-24-17-10-5-4-9-16(17)18(25-19)11-6-14-22-21(28)23-15-7-2-1-3-8-15/h1-11H,12-14H2,(H,26,27)(H2,22,23,28)/b11-6+