[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H26N2O3/c1-16(2)18-9-6-17(7-10-18)8-11-20(25)26-14-19(24)23-21(15-22)12-4-3-5-13-21/h6-11,16H,3-5,12-14H2,1-2H3,(H,23,24)/b11-8+