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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2)OCC(C)C

InChI

InChI=1S/C23H29NO5/c1-5-27-21-13-19(11-12-20(21)28-14-16(2)3)23(26)29-15-22(25)24-17(4)18-9-7-6-8-10-18/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,25)/t17-/m1/s1