[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C/C=C/C=C/C(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H28N2O3/c1-2-3-4-6-20(25)26-15-19(24)23(8-5-7-22)21-12-16-9-17(13-21)11-18(10-16)14-21/h2-4,6,16-18H,5,8-15H2,1H3/b3-2+,6-4+