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

Systemtic Name: ethyl 4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yl-cyclohexene-1-carboxylate chloride Openeye Name: ethyl 4-acetamido-5-(diallylamino)-3-(1-ethylpropyl)cyclohexene-1-carboxylate chloride CAS Name: 4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-yl-1-cyclohexenecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-acetamido-5-[bis(prop-2-enyl)amino]-3-pentan-3-ylcyclohexene-1-carboxylate chloride Traditional Name: 4-acetamido-5-(diallylamino)-3-(1-ethylpropyl)cyclohexene-1-carboxylic acid ethyl ester chloride Formula: C22H36ClN2O3- MolecularWeight: 411.98584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C=C(CC(C1NC(=O)C)N(CC=C)CC=C)C(=O)OCC.[Cl-]

Isomeric SMILES

CCC(CC)C1C=C(CC(C1NC(=O)C)N(CC=C)CC=C)C(=O)OCC.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-7-12-24(13-8-2)20-15-18(22(26)27-11-5)14-19(17(9-3)10-4)21(20)23-16(6)25;/h7-8,14,17,19-21H,1-2,9-13,15H2,3-6H3,(H,23,25);1H/p-1