methyl 2-[6-chloranyl-4-methyl-8-[(3-morpholin-4-ylpropylamino)methyl]-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[6-chloranyl-4-methyl-8-[(3-morpholin-4-ylpropylamino)methyl]-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-8-[(3-morpholinopropylamino)methyl]-2-oxo-chromen-3-yl]acetate CAS Name: 2-[6-chloro-7-hydroxy-4-methyl-8-[[3-(4-morpholinyl)propylamino]methyl]-2-oxo-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-8-[(3-morpholin-4-ylpropylamino)methyl]-2-oxochromen-3-yl]acetate Traditional Name: 2-[6-chloro-7-hydroxy-2-keto-4-methyl-8-[(3-morpholinopropylamino)methyl]chromen-3-yl]acetic acid methyl ester Formula: C21H27ClN2O6 MolecularWeight: 438.90188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCCN3CCOCC3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCCN3CCOCC3)CC(=O)OC

InChI

InChI=1S/C21H27ClN2O6/c1-13-14-10-17(22)19(26)16(12-23-4-3-5-24-6-8-29-9-7-24)20(14)30-21(27)15(13)11-18(25)28-2/h10,23,26H,3-9,11-12H2,1-2H3