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

Systemtic Name: ethyl 4-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C(C)(C)C)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)C(C)(C)C)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H35N3O3/c1-5-34-27(33)31-16-14-30(15-17-31)26(32)18-23(20-10-12-21(13-11-20)28(2,3)4)24-19-29-25-9-7-6-8-22(24)25/h6-13,19,23,29H,5,14-18H2,1-4H3