(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 2,3,4-trimethoxybenzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 2,3,4-trimethoxybenzoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)OC)OC

InChI

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