[4-[[3-[(2-cyano-4-phenyl-phenyl)methyl]-2-oxidanylidene-cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[[3-[(2-cyano-4-phenyl-phenyl)methyl]-2-oxidanylidene-cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Openeye Name: [4-[[3-[(2-cyano-4-phenyl-phenyl)methyl]-2-oxo-cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate CAS Name: [4-[[[3-[(2-cyano-4-phenylphenyl)methyl]-2-oxocycloheptyl]amino]-oxomethyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[[3-[(2-cyano-4-phenylphenyl)methyl]-2-oxocycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Traditional Name: [4-[[3-(2-cyano-4-phenyl-benzyl)-2-keto-cycloheptyl]carbamoyl]phenyl] dihydrogen phosphate Formula: C28H27N2O6P MolecularWeight: 518.497541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(C1)CC2=C(C=C(C=C2)C3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)OP(=O)(O)O

Isomeric SMILES

C1CCC(C(=O)C(C1)CC2=C(C=C(C=C2)C3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)OP(=O)(O)O

InChI

InChI=1S/C28H27N2O6P/c29-18-24-17-21(19-6-2-1-3-7-19)10-11-22(24)16-23-8-4-5-9-26(27(23)31)30-28(32)20-12-14-25(15-13-20)36-37(33,34)35/h1-3,6-7,10-15,17,23,26H,4-5,8-9,16H2,(H,30,32)(H2,33,34,35)