[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-4-28-18-12-10-16(11-13-18)19(25)14-29-21(26)20(15(2)3)24-22(27)23-17-8-6-5-7-9-17/h5-13,15,20H,4,14H2,1-3H3,(H2,23,24,27)/t20-/m0/s1