methyl 4-(7-acetamido-4-oxidanylidene-3-propyl-chromen-2-yl)benzoate

Systemtic Name: methyl 4-(7-acetamido-4-oxidanylidene-3-propyl-chromen-2-yl)benzoate Openeye Name: methyl 4-(7-acetamido-4-oxo-3-propyl-chromen-2-yl)benzoate CAS Name: 4-(7-acetamido-4-oxo-3-propyl-1-benzopyran-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-acetamido-4-oxo-3-propylchromen-2-yl)benzoate Traditional Name: 4-(7-acetamido-4-keto-3-propyl-chromen-2-yl)benzoic acid methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-4-5-18-20(25)17-11-10-16(23-13(2)24)12-19(17)28-21(18)14-6-8-15(9-7-14)22(26)27-3/h6-12H,4-5H2,1-3H3,(H,23,24)