(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H19Cl2NO5 MolecularWeight: 448.29596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H19Cl2NO5/c1-13-9-19-17(11-18(13)24)15(10-21(27)30-19)12-29-20(26)3-2-8-25-22(28)14-4-6-16(23)7-5-14/h4-7,9-11H,2-3,8,12H2,1H3,(H,25,28)