3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-[(2S)-3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-[(2S)-3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-[(2S)-3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]chromen-4-one CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[(2S)-3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[(2S)-3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]chromen-4-one Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-[(2S)-3-(4-ethylpiperazino)-2-hydroxy-propoxy]chromone Formula: C26H31ClN2O5 MolecularWeight: 486.98774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C)O

Isomeric SMILES

CCN1CCN(CC1)C[C@@H](COC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C)O

InChI

InChI=1S/C26H31ClN2O5/c1-4-28-7-9-29(10-8-28)14-19(30)15-32-20-5-6-22-23(13-20)33-16-24(26(22)31)34-21-11-17(2)25(27)18(3)12-21/h5-6,11-13,16,19,30H,4,7-10,14-15H2,1-3H3/t19-/m0/s1