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

Systemtic Name: ethyl 1-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]isonipecotic acid ethyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C(C)(C)C)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C(C)(C)C)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C29H36N2O3/c1-5-34-28(33)21-14-16-31(17-15-21)27(32)18-24(20-10-12-22(13-11-20)29(2,3)4)25-19-30-26-9-7-6-8-23(25)26/h6-13,19,21,24,30H,5,14-18H2,1-4H3