[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)OC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H24N2O3/c1-15(20(24)22-14-18-5-3-2-4-6-18)25-19(23)12-11-16-7-9-17(13-21)10-8-16/h7-12,15,18H,2-6,14H2,1H3,(H,22,24)/b12-11+/t15-/m0/s1