[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H23NO5 MolecularWeight: 405.44312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C24H23NO5/c1-16-10-11-19(13-17(16)2)21(26)15-30-24(28)20(14-18-7-4-3-5-8-18)25-23(27)22-9-6-12-29-22/h3-13,20H,14-15H2,1-2H3,(H,25,27)/t20-/m0/s1