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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(butylamino)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C22H22ClNO4/c1-3-4-9-24-19-8-6-5-7-16(19)22(26)27-13-15-11-21(25)28-20-10-14(2)18(23)12-17(15)20/h5-8,10-12,24H,3-4,9,13H2,1-2H3