methyl 2-methoxy-3-methyl-5-[6-(methylamino)-6-oxidanylidene-hex-1-ynyl]benzoate

Systemtic Name: methyl 2-methoxy-3-methyl-5-[6-(methylamino)-6-oxidanylidene-hex-1-ynyl]benzoate Openeye Name: methyl 2-methoxy-3-methyl-5-[6-(methylamino)-6-oxo-hex-1-ynyl]benzoate CAS Name: 2-methoxy-3-methyl-5-[6-(methylamino)-6-oxohex-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-3-methyl-5-[6-(methylamino)-6-oxohex-1-ynyl]benzoate Traditional Name: 5-[6-keto-6-(methylamino)hex-1-ynyl]-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)OC)C#CCCCC(=O)NC

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)OC)C#CCCCC(=O)NC

InChI

InChI=1S/C17H21NO4/c1-12-10-13(8-6-5-7-9-15(19)18-2)11-14(16(12)21-3)17(20)22-4/h10-11H,5,7,9H2,1-4H3,(H,18,19)