methyl 4-[7-(2-chloranylethanoylamino)-4-oxidanylidene-3-propyl-chromen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(2-chloranylethanoylamino)-4-oxidanylidene-3-propyl-chromen-2-yl]benzoate Openeye Name: methyl 4-[7-[(2-chloroacetyl)amino]-4-oxo-3-propyl-chromen-2-yl]benzoate CAS Name: 4-[7-[(2-chloro-1-oxoethyl)amino]-4-oxo-3-propyl-1-benzopyran-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-[(2-chloroacetyl)amino]-4-oxo-3-propylchromen-2-yl]benzoate Traditional Name: 4-[7-[(2-chloroacetyl)amino]-4-keto-3-propyl-chromen-2-yl]benzoic acid methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NC(=O)CCl)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=CC(=C2)NC(=O)CCl)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H20ClNO5/c1-3-4-17-20(26)16-10-9-15(24-19(25)12-23)11-18(16)29-21(17)13-5-7-14(8-6-13)22(27)28-2/h5-11H,3-4,12H2,1-2H3,(H,24,25)