[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [(1S)-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [(1S)-2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [(1S)-2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl] ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=NOC(=C3)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=NOC(=C3)C)OCC

InChI

InChI=1S/C24H26N2O6/c1-4-13-30-19-12-11-18(15-20(19)29-5-2)24(28)31-22(17-9-7-6-8-10-17)23(27)25-21-14-16(3)32-26-21/h6-12,14-15,22H,4-5,13H2,1-3H3,(H,25,26,27)/t22-/m0/s1