ethyl 5-[bis(prop-2-enyl)amino]-4-(2,2-dimethylpropylamino)-3-pentan-3-yl-cyclohexene-1-carboxylate

Systemtic Name: ethyl 5-[bis(prop-2-enyl)amino]-4-(2,2-dimethylpropylamino)-3-pentan-3-yl-cyclohexene-1-carboxylate Openeye Name: ethyl 5-(diallylamino)-4-(2,2-dimethylpropylamino)-3-(1-ethylpropyl)cyclohexene-1-carboxylate CAS Name: 5-[bis(prop-2-enyl)amino]-4-(2,2-dimethylpropylamino)-3-pentan-3-yl-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[bis(prop-2-enyl)amino]-4-(2,2-dimethylpropylamino)-3-pentan-3-ylcyclohexene-1-carboxylate Traditional Name: 5-(diallylamino)-3-(1-ethylpropyl)-4-(neopentylamino)cyclohexene-1-carboxylic acid ethyl ester Formula: C25H44N2O2 MolecularWeight: 404.62906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C=C(CC(C1NCC(C)(C)C)N(CC=C)CC=C)C(=O)OCC

Isomeric SMILES

CCC(CC)C1C=C(CC(C1NCC(C)(C)C)N(CC=C)CC=C)C(=O)OCC

InChI

InChI=1S/C25H44N2O2/c1-9-14-27(15-10-2)22-17-20(24(28)29-13-5)16-21(19(11-3)12-4)23(22)26-18-25(6,7)8/h9-10,16,19,21-23,26H,1-2,11-15,17-18H2,3-8H3