methyl 3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylamino]-4-methyl-benzoate CAS Name: 3-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylamino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylamino]-4-methylbenzoate Traditional Name: 3-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylamino]-4-methyl-benzoic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)C(=O)OC)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)C(=O)OC)C)O

InChI

InChI=1S/C21H21NO5/c1-4-13-7-16-15(9-20(24)27-19(16)10-18(13)23)11-22-17-8-14(21(25)26-3)6-5-12(17)2/h5-10,22-23H,4,11H2,1-3H3