[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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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)NC3CC3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)OCC

InChI

InChI=1S/C23H27NO5/c1-3-14-28-19-13-10-17(15-20(19)27-4-2)23(26)29-21(16-8-6-5-7-9-16)22(25)24-18-11-12-18/h5-10,13,15,18,21H,3-4,11-12,14H2,1-2H3,(H,24,25)/t21-/m1/s1