methyl 4-chloranyl-3-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]benzoate CAS Name: 4-chloro-3-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzoate Traditional Name: 4-chloro-3-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]benzoic acid methyl ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H20ClNO6/c1-12-15-6-5-14(28-2)11-19(15)30-22(27)16(12)7-9-20(25)24-18-10-13(21(26)29-3)4-8-17(18)23/h4-6,8,10-11H,7,9H2,1-3H3,(H,24,25)