methyl 2-methoxy-5-[[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]methyl]benzoate Openeye Name: methyl 5-[[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylamino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CNCC3=CC(=C(C=C3)OC)C(=O)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CNCC3=CC(=C(C=C3)OC)C(=O)OC)O

InChI

InChI=1S/C21H21NO6/c1-12-17(23)6-5-15-14(9-19(24)28-20(12)15)11-22-10-13-4-7-18(26-2)16(8-13)21(25)27-3/h4-9,22-23H,10-11H2,1-3H3