[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 4-(ethoxycarbonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 4-(ethoxycarbonylamino)benzoate Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-(ethoxycarbonylamino)benzoate CAS Name: 4-(ethoxycarbonylamino)benzoic acid [2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl] ester IUPAC Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-(ethoxycarbonylamino)benzoate Traditional Name: 4-(carbethoxyamino)benzoic acid [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O6/c1-2-29-21(28)23-16-7-5-14(6-8-16)20(27)30-13-18(25)15-11-17(22-12-15)19(26)24-9-3-4-10-24/h5-8,11-12,22H,2-4,9-10,13H2,1H3,(H,23,28)