[(1R)-1-cyanoethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O[C@H](C)C#N)OCC

InChI

InChI=1S/C21H21NO5/c1-4-25-18-11-10-15(12-19(18)26-5-2)20(23)16-8-6-7-9-17(16)21(24)27-14(3)13-22/h6-12,14H,4-5H2,1-3H3/t14-/m1/s1