[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,4-diethoxybenzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3)OCC

InChI

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