[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H23N3O3/c1-16(21(27)25-22(15-23)13-5-2-6-14-22)28-20(26)12-11-18-10-9-17-7-3-4-8-19(17)24-18/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,25,27)/b12-11+/t16-/m1/s1