6-(diethylazaniumyl)-2-(2-methoxy-2-methyl-propanoyl)-1-phenyl-hex-1-en-4-yn-1-olate

Systemtic Name: 6-(diethylazaniumyl)-2-(2-methoxy-2-methyl-propanoyl)-1-phenyl-hex-1-en-4-yn-1-olate Openeye Name: 6-(diethylammonio)-2-(2-methoxy-2-methyl-propanoyl)-1-phenyl-hex-1-en-4-yn-1-olate CAS Name: 6-(diethylammonio)-2-(2-methoxy-2-methyl-1-oxopropyl)-1-phenyl-1-hex-1-en-4-ynolate IUPAC Name: 6-(diethylazaniumyl)-2-(2-methoxy-2-methylpropanoyl)-1-phenylhex-1-en-4-yn-1-olate Traditional Name: 6-(diethylammonio)-2-(2-methoxy-2-methyl-propanoyl)-1-phenyl-hex-1-en-4-yn-1-olate Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCC(=C(C1=CC=CC=C1)[O-])C(=O)C(C)(C)OC

Isomeric SMILES

CC[NH+](CC)CC#CCC(=C(C1=CC=CC=C1)[O-])C(=O)C(C)(C)OC

InChI

InChI=1S/C21H29NO3/c1-6-22(7-2)16-12-11-15-18(20(24)21(3,4)25-5)19(23)17-13-9-8-10-14-17/h8-10,13-14,23H,6-7,15-16H2,1-5H3