[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C21H22N2O5/c1-4-26-18-11-8-16(12-19(18)27-5-2)21(25)28-14(3)20(24)23-17-9-6-15(13-22)7-10-17/h6-12,14H,4-5H2,1-3H3,(H,23,24)/t14-/m1/s1