[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-3-27-18-11-9-16(10-12-18)20(25)15(2)28-19(24)13-14-22-21(26)23-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H2,22,23,26)/t15-/m0/s1