[3-methyl-4-[[2-oxidanylidene-3-[(E)-3-phenylprop-2-enyl]cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate

Systemtic Name: [3-methyl-4-[[2-oxidanylidene-3-[(E)-3-phenylprop-2-enyl]cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Openeye Name: [4-[[3-[(E)-cinnamyl]-2-oxo-cycloheptyl]carbamoyl]-3-methyl-phenyl] dihydrogen phosphate CAS Name: [3-methyl-4-[oxo-[[2-oxo-3-[(E)-3-phenylprop-2-enyl]cycloheptyl]amino]methyl]phenyl] dihydrogen phosphate IUPAC Name: [3-methyl-4-[[2-oxo-3-[(E)-3-phenylprop-2-enyl]cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Traditional Name: [4-[[3-[(E)-cinnamyl]-2-keto-cycloheptyl]carbamoyl]-3-methyl-phenyl] dihydrogen phosphate Formula: C24H28NO6P MolecularWeight: 457.455981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OP(=O)(O)O)C(=O)NC2CCCCC(C2=O)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OP(=O)(O)O)C(=O)NC2CCCCC(C2=O)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28NO6P/c1-17-16-20(31-32(28,29)30)14-15-21(17)24(27)25-22-13-6-5-11-19(23(22)26)12-7-10-18-8-3-2-4-9-18/h2-4,7-10,14-16,19,22H,5-6,11-13H2,1H3,(H,25,27)(H2,28,29,30)/b10-7+