methyl 3-acetamido-4-(6-methoxy-6-oxidanylidene-hex-1-ynyl)benzoate

Systemtic Name: methyl 3-acetamido-4-(6-methoxy-6-oxidanylidene-hex-1-ynyl)benzoate Openeye Name: methyl 3-acetamido-4-(6-methoxy-6-oxo-hex-1-ynyl)benzoate CAS Name: 3-acetamido-4-(6-methoxy-6-oxohex-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(6-methoxy-6-oxohex-1-ynyl)benzoate Traditional Name: 3-acetamido-4-(6-keto-6-methoxy-hex-1-ynyl)benzoic acid methyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C#CCCCC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C#CCCCC(=O)OC

InChI

InChI=1S/C17H19NO5/c1-12(19)18-15-11-14(17(21)23-3)10-9-13(15)7-5-4-6-8-16(20)22-2/h9-11H,4,6,8H2,1-3H3,(H,18,19)