ethyl 1-[3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(1H-indol-3-yl)-3-(3-nitrophenyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanoyl]isonipecotic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O5/c1-2-33-25(30)17-10-12-27(13-11-17)24(29)15-21(18-6-5-7-19(14-18)28(31)32)22-16-26-23-9-4-3-8-20(22)23/h3-9,14,16-17,21,26H,2,10-13,15H2,1H3