methyl (2R)-2-[2-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[(E)-2-cyano-3-(p-tolyl)prop-2-enoyl]oxyacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(E)-2-cyano-3-(4-methylphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(E)-2-cyano-3-(p-tolyl)acryloyl]oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C20H24N2O5/c1-13(2)9-17(20(25)26-4)22-18(23)12-27-19(24)16(11-21)10-15-7-5-14(3)6-8-15/h5-8,10,13,17H,9,12H2,1-4H3,(H,22,23)/b16-10+/t17-/m1/s1