(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-hydroxyethylamino)benzoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-hydroxyethylamino)benzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3NCCO)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3NCCO)Cl

InChI

InChI=1S/C21H20ClNO5/c1-2-13-9-19-16(11-17(13)22)14(10-20(25)28-19)12-27-21(26)15-5-3-4-6-18(15)23-7-8-24/h3-6,9-11,23-24H,2,7-8,12H2,1H3