[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O3/c1-13-18(14(2)23(3)22-13)4-5-20(25)26-12-19(24)21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,15-17H,6-12H2,1-3H3/b5-4+