[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)O[C@@H](C)C(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-16-8-6-11-19(14-16)28-13-7-12-20(25)29-17(2)21(26)24-22(27)23-15-18-9-4-3-5-10-18/h3-6,8-11,14,17H,7,12-13,15H2,1-2H3,(H2,23,24,26,27)/t17-/m0/s1