[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/C#N)C2=CC=CC=C2

InChI

InChI=1S/C23H25N3O3/c1-17(19-7-5-4-6-8-19)15-25-22(27)16-29-23(28)20(14-24)13-18-9-11-21(12-10-18)26(2)3/h4-13,17H,15-16H2,1-3H3,(H,25,27)/b20-13+/t17-/m1/s1