methyl 2-(4-cyano-4-methyl-hex-5-ynyl)-4,6,7-trimethoxy-3-oxidanylidene-5-propan-2-yl-1H-indene-2-carboxylate

Systemtic Name: methyl 2-(4-cyano-4-methyl-hex-5-ynyl)-4,6,7-trimethoxy-3-oxidanylidene-5-propan-2-yl-1H-indene-2-carboxylate Openeye Name: methyl 2-(4-cyano-4-methyl-hex-5-ynyl)-6-isopropyl-4,5,7-trimethoxy-1-oxo-indane-2-carboxylate CAS Name: 2-(4-cyano-4-methylhex-5-ynyl)-4,6,7-trimethoxy-3-oxo-5-propan-2-yl-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyano-4-methylhex-5-ynyl)-4,6,7-trimethoxy-3-oxo-5-propan-2-yl-1H-indene-2-carboxylate Traditional Name: 2-(4-cyano-4-methyl-hex-5-ynyl)-6-isopropyl-1-keto-4,5,7-trimethoxy-indane-2-carboxylic acid methyl ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(CC(C2=O)(CCCC(C)(C#C)C#N)C(=O)OC)C(=C1OC)OC)OC

Isomeric SMILES

CC(C)C1=C(C2=C(CC(C2=O)(CCCC(C)(C#C)C#N)C(=O)OC)C(=C1OC)OC)OC

InChI

InChI=1S/C25H31NO6/c1-9-24(4,14-26)11-10-12-25(23(28)32-8)13-16-18(22(25)27)20(30-6)17(15(2)3)21(31-7)19(16)29-5/h1,15H,10-13H2,2-8H3