ethyl 4-[2-oxidanylidene-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[2-oxidanylidene-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[2-oxo-4-(3-pyridylmethylcarbamoyl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2-oxo-4-[oxo-(3-pyridinylmethylamino)methyl]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[2-keto-4-(3-pyridylmethylcarbamoyl)pyrrolidino]benzoic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H21N3O4/c1-2-27-20(26)15-5-7-17(8-6-15)23-13-16(10-18(23)24)19(25)22-12-14-4-3-9-21-11-14/h3-9,11,16H,2,10,12-13H2,1H3,(H,22,25)