[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-benzyloxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)acrylic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OC(C)C(=O)NCC2CCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C)C(=O)NCC2CCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H35NO5/c1-3-32-26-18-22(14-16-25(26)33-20-24-12-8-5-9-13-24)15-17-27(30)34-21(2)28(31)29-19-23-10-6-4-7-11-23/h5,8-9,12-18,21,23H,3-4,6-7,10-11,19-20H2,1-2H3,(H,29,31)/b17-15+/t21-/m1/s1