ethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-pyridin-3-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-pyridin-3-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorobenzyl)carbamoyl]-1-nicotinoyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C28H26FN3O6 MolecularWeight: 519.520943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C28H26FN3O6/c1-2-36-28(35)21-13-22(26(33)31-14-17-5-8-20(29)9-6-17)32(27(34)19-4-3-11-30-15-19)25(21)18-7-10-23-24(12-18)38-16-37-23/h3-12,15,21-22,25H,2,13-14,16H2,1H3,(H,31,33)