methyl 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate Openeye Name: methyl 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl]acetate CAS Name: 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl]acetate Traditional Name: 2-[6-chloro-7-hydroxy-2-keto-4-methyl-8-[(piperonylamino)methyl]chromen-3-yl]acetic acid methyl ester Formula: C22H20ClNO7 MolecularWeight: 445.8497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=CC4=C(C=C3)OCO4)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=CC4=C(C=C3)OCO4)CC(=O)OC

InChI

InChI=1S/C22H20ClNO7/c1-11-13-6-16(23)20(26)15(21(13)31-22(27)14(11)7-19(25)28-2)9-24-8-12-3-4-17-18(5-12)30-10-29-17/h3-6,24,26H,7-10H2,1-2H3