[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C=CC1=NC2=CC=CC=C2C=C1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2C=C1)C3(CCCCC3)C#N

InChI

InChI=1S/C22H23N3O3/c1-25(22(16-23)13-5-2-6-14-22)20(26)15-28-21(27)12-11-18-10-9-17-7-3-4-8-19(17)24-18/h3-4,7-12H,2,5-6,13-15H2,1H3/b12-11+