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

Systemtic Name: [4-[[2-oxidanylidene-3-[(E)-3-phenylprop-2-enyl]cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Openeye Name: [4-[[3-[(E)-cinnamyl]-2-oxo-cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate CAS Name: [4-[oxo-[[2-oxo-3-[(E)-3-phenylprop-2-enyl]cycloheptyl]amino]methyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[[2-oxo-3-[(E)-3-phenylprop-2-enyl]cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Traditional Name: [4-[[3-[(E)-cinnamyl]-2-keto-cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Formula: C23H26NO6P MolecularWeight: 443.429401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(C1)CC=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OP(=O)(O)O

Isomeric SMILES

C1CCC(C(=O)C(C1)C/C=C/C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OP(=O)(O)O

InChI

InChI=1S/C23H26NO6P/c25-22-18(11-6-9-17-7-2-1-3-8-17)10-4-5-12-21(22)24-23(26)19-13-15-20(16-14-19)30-31(27,28)29/h1-3,6-9,13-16,18,21H,4-5,10-12H2,(H,24,26)(H2,27,28,29)/b9-6+