[(2S)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-17(22(28)26(2)23(16-24)13-4-3-5-14-23)29-20(27)12-11-19-9-6-8-18-10-7-15-25-21(18)19/h6-12,15,17H,3-5,13-14H2,1-2H3/b12-11+/t17-/m0/s1