6-[(2R)-3-[(2,4-dichlorophenyl)methylamino]-2-oxidanyl-propoxy]-4,7-dimethyl-chromen-2-one

Systemtic Name: 6-[(2R)-3-[(2,4-dichlorophenyl)methylamino]-2-oxidanyl-propoxy]-4,7-dimethyl-chromen-2-one Openeye Name: 6-[(2R)-3-[(2,4-dichlorophenyl)methylamino]-2-hydroxy-propoxy]-4,7-dimethyl-chromen-2-one CAS Name: 6-[(2R)-3-[(2,4-dichlorophenyl)methylamino]-2-hydroxypropoxy]-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 6-[(2R)-3-[(2,4-dichlorophenyl)methylamino]-2-hydroxypropoxy]-4,7-dimethylchromen-2-one Traditional Name: 6-[(2R)-3-[(2,4-dichlorobenzyl)amino]-2-hydroxy-propoxy]-4,7-dimethyl-coumarin Formula: C21H21Cl2NO4 MolecularWeight: 422.30174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(CNCC3=C(C=C(C=C3)Cl)Cl)O)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OC[C@@H](CNCC3=C(C=C(C=C3)Cl)Cl)O)C

InChI

InChI=1S/C21H21Cl2NO4/c1-12-6-21(26)28-20-5-13(2)19(8-17(12)20)27-11-16(25)10-24-9-14-3-4-15(22)7-18(14)23/h3-8,16,24-25H,9-11H2,1-2H3/t16-/m1/s1