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

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C=CC1=CC=C(C=C1)C#N

Isomeric SMILES

C[C@H](C(=O)NCC(C)C)OC(=O)/C=C/C1=CC=C(C=C1)C#N

InChI

InChI=1S/C17H20N2O3/c1-12(2)11-19-17(21)13(3)22-16(20)9-8-14-4-6-15(10-18)7-5-14/h4-9,12-13H,11H2,1-3H3,(H,19,21)/b9-8+/t13-/m1/s1