[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H26N2O4/c1-3-26-18-10-6-5-9-17(18)11-12-19(24)27-16(2)20(25)23-21(15-22)13-7-4-8-14-21/h5-6,9-12,16H,3-4,7-8,13-14H2,1-2H3,(H,23,25)/b12-11+