butyl 4-(2-cyanobutan-2-yl)-7,14-diethyl-6,7,14,16-tetramethyl-8,13-bis(oxidanylidene)-9,12-dioxabicyclo[17.2.2]tricosa-1(21),19,22-triene-16-carboxylate

Systemtic Name: butyl 4-(2-cyanobutan-2-yl)-7,14-diethyl-6,7,14,16-tetramethyl-8,13-bis(oxidanylidene)-9,12-dioxabicyclo[17.2.2]tricosa-1(21),19,22-triene-16-carboxylate Openeye Name: butyl 4-(1-cyano-1-methyl-propyl)-7,14-diethyl-6,7,14,16-tetramethyl-8,13-dioxo-9,12-dioxabicyclo[17.2.2]tricosa-1(21),19,22-triene-16-carboxylate CAS Name: 4-(2-cyanobutan-2-yl)-7,14-diethyl-6,7,14,16-tetramethyl-8,13-dioxo-9,12-dioxabicyclo[17.2.2]tricosa-1(21),19,22-triene-16-carboxylic acid butyl ester IUPAC Name: butyl 4-(2-cyanobutan-2-yl)-7,14-diethyl-6,7,14,16-tetramethyl-8,13-dioxo-9,12-dioxabicyclo[17.2.2]tricosa-1(21),19,22-triene-16-carboxylate Traditional Name: 4-(1-cyano-1-methyl-propyl)-7,14-diethyl-8,13-diketo-6,7,14,16-tetramethyl-9,12-dioxabicyclo[17.2.2]tricosa-1(21),19,22-triene-16-carboxylic acid butyl ester Formula: C39H61NO6 MolecularWeight: 639.90474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CCC2=CC=C(CCC(CC(C(C(=O)OCCOC(=O)C(C1)(C)CC)(C)CC)C)C(C)(CC)C#N)C=C2)C

Isomeric SMILES

CCCCOC(=O)C1(CCC2=CC=C(CCC(CC(C(C(=O)OCCOC(=O)C(C1)(C)CC)(C)CC)C)C(C)(CC)C#N)C=C2)C

InChI

InChI=1S/C39H61NO6/c1-10-14-23-44-34(42)38(8)22-21-31-17-15-30(16-18-31)19-20-32(37(7,12-3)28-40)26-29(5)39(9,13-4)35(43)46-25-24-45-33(41)36(6,11-2)27-38/h15-18,29,32H,10-14,19-27H2,1-9H3