3-[4-[3-(cyclohexylamino)-2-oxidanyl-propoxy]phenyl]-6,7-dimethoxy-chromen-4-one

Systemtic Name: 3-[4-[3-(cyclohexylamino)-2-oxidanyl-propoxy]phenyl]-6,7-dimethoxy-chromen-4-one Openeye Name: 3-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]phenyl]-6,7-dimethoxy-chromen-4-one CAS Name: 3-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]-6,7-dimethoxy-1-benzopyran-4-one IUPAC Name: 3-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]-6,7-dimethoxychromen-4-one Traditional Name: 3-[4-[3-(cyclohexylamino)-2-hydroxy-propoxy]phenyl]-6,7-dimethoxy-chromone Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OCC(CNC4CCCCC4)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OCC(CNC4CCCCC4)O)OC

InChI

InChI=1S/C26H31NO6/c1-30-24-12-21-23(13-25(24)31-2)33-16-22(26(21)29)17-8-10-20(11-9-17)32-15-19(28)14-27-18-6-4-3-5-7-18/h8-13,16,18-19,27-28H,3-7,14-15H2,1-2H3