methyl (2S)-2-[2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(E)-3-(4-cyanophenyl)acryloyl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H20N2O5/c1-28-22(27)19(13-17-5-3-2-4-6-17)24-20(25)15-29-21(26)12-11-16-7-9-18(14-23)10-8-16/h2-12,19H,13,15H2,1H3,(H,24,25)/b12-11+/t19-/m0/s1