ethyl 3-(4-fluorophenyl)-3-[1-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperidin-4-yl]propanoate

Systemtic Name: ethyl 3-(4-fluorophenyl)-3-[1-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperidin-4-yl]propanoate Openeye Name: ethyl 3-(4-fluorophenyl)-3-[1-(3-nitro-4-pyrrolidin-1-yl-benzoyl)-4-piperidyl]propanoate CAS Name: 3-(4-fluorophenyl)-3-[1-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-4-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-3-[1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidin-4-yl]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[1-(3-nitro-4-pyrrolidino-benzoyl)-4-piperidyl]propionic acid ethyl ester Formula: C27H32FN3O5 MolecularWeight: 497.558483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C27H32FN3O5/c1-2-36-26(32)18-23(19-5-8-22(28)9-6-19)20-11-15-30(16-12-20)27(33)21-7-10-24(25(17-21)31(34)35)29-13-3-4-14-29/h5-10,17,20,23H,2-4,11-16,18H2,1H3