[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC(C)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2)OCC

InChI

InChI=1S/C22H26ClNO5/c1-4-11-28-21-18(23)12-17(13-19(21)27-5-2)22(26)29-14-20(25)24-15(3)16-9-7-6-8-10-16/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,24,25)/t15-/m1/s1