3-methylbut-3-enyl 6-(dioctylamino)-6-methanoyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 3-methylbut-3-enyl 6-(dioctylamino)-6-methanoyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 3-methylbut-3-enyl 6-(dioctylamino)-6-formyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-(dioctylamino)-6-formyl-1-cyclohexa-2,4-dienecarboxylic acid 3-methylbut-3-enyl ester IUPAC Name: 3-methylbut-3-enyl 6-(dioctylamino)-6-formylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-(dioctylamino)-6-formyl-cyclohexa-2,4-diene-1-carboxylic acid 3-methylbut-3-enyl ester Formula: C29H49NO3 MolecularWeight: 459.70426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1(C=CC=CC1C(=O)OCCC(=C)C)C=O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1(C=CC=CC1C(=O)OCCC(=C)C)C=O

InChI

InChI=1S/C29H49NO3/c1-5-7-9-11-13-17-22-30(23-18-14-12-10-8-6-2)29(25-31)21-16-15-19-27(29)28(32)33-24-20-26(3)4/h15-16,19,21,25,27H,3,5-14,17-18,20,22-24H2,1-2,4H3