[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3)OC)OC

InChI

InChI=1S/C22H25NO6/c1-26-17-14-19(28-3)18(27-2)13-16(17)22(25)29-20(15-9-5-4-6-10-15)21(24)23-11-7-8-12-23/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3/t20-/m1/s1