[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-15(19(26)24-21(14-22)11-7-4-8-12-21)28-20(27)18(23-16(2)25)13-17-9-5-3-6-10-17/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3,(H,23,25)(H,24,26)/b18-13-/t15-/m1/s1