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

Systemtic Name: methyl (2S)-2-[2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(E)-3-(o-tolyl)prop-2-enoyl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(E)-3-(2-methylphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(E)-3-(o-tolyl)acryloyl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H23NO5/c1-16-8-6-7-11-18(16)12-13-21(25)28-15-20(24)23-19(22(26)27-2)14-17-9-4-3-5-10-17/h3-13,19H,14-15H2,1-2H3,(H,23,24)/b13-12+/t19-/m0/s1