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

Systemtic Name: methyl 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate Openeye Name: methyl 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-hydroxy-4-methyl-2-oxo-chromen-3-yl]acetate CAS Name: 2-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-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]-7-hydroxy-4-methyl-2-oxochromen-3-yl]acetate Traditional Name: 2-[7-hydroxy-2-keto-4-methyl-8-[(piperonylamino)methyl]chromen-3-yl]acetic acid methyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC3=CC4=C(C=C3)OCO4)O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC3=CC4=C(C=C3)OCO4)O)CC(=O)OC

InChI

InChI=1S/C22H21NO7/c1-12-14-4-5-17(24)16(21(14)30-22(26)15(12)8-20(25)27-2)10-23-9-13-3-6-18-19(7-13)29-11-28-18/h3-7,23-24H,8-11H2,1-2H3