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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

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