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

Systemtic Name: 3-[4-[(E)-3-[(phenylmethyl)carbamoylamino]prop-1-enyl]quinazolin-2-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(benzylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid CAS Name: 3-[4-[(E)-3-[[oxo-[(phenylmethyl)amino]methyl]amino]prop-1-enyl]-2-quinazolinyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(benzylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(benzylcarbamoylamino)prop-1-enyl]quinazolin-2-yl]propionic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c27-21(28)13-12-20-25-18-10-5-4-9-17(18)19(26-20)11-6-14-23-22(29)24-15-16-7-2-1-3-8-16/h1-11H,12-15H2,(H,27,28)(H2,23,24,29)/b11-6+