methyl 5-[[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylamino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCC3=CC(=C(C=C3)OC)C(=O)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCC3=CC(=C(C=C3)OC)C(=O)OC)O

InChI

InChI=1S/C22H23NO6/c1-4-14-8-16-15(9-21(25)29-20(16)10-18(14)24)12-23-11-13-5-6-19(27-2)17(7-13)22(26)28-3/h5-10,23-24H,4,11-12H2,1-3H3