phenacyl 4-[2,5-bis(oxidanylidene)-3-(pyridin-3-ylmethylamino)pyrrolidin-1-yl]benzoate

Systemtic Name: phenacyl 4-[2,5-bis(oxidanylidene)-3-(pyridin-3-ylmethylamino)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[2,5-dioxo-3-(3-pyridylmethylamino)pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(3-pyridinylmethylamino)-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[2,5-dioxo-3-(pyridin-3-ylmethylamino)pyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(3-pyridylmethylamino)pyrrolidino]benzoic acid phenacyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)NCC4=CN=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C25H21N3O5/c29-22(18-6-2-1-3-7-18)16-33-25(32)19-8-10-20(11-9-19)28-23(30)13-21(24(28)31)27-15-17-5-4-12-26-14-17/h1-12,14,21,27H,13,15-16H2