tert-butyl 4-[1-(4-tert-butylphenyl)-3-methanoyl-indol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-tert-butylphenyl)-3-methanoyl-indol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-tert-butylphenyl)-3-formyl-indol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-(4-tert-butylphenyl)-3-formyl-2-indolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-tert-butylphenyl)-3-formylindol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-tert-butylphenyl)-3-formyl-indol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2N4CCN(CC4)C(=O)OC(C)(C)C)C=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2N4CCN(CC4)C(=O)OC(C)(C)C)C=O

InChI

InChI=1S/C28H35N3O3/c1-27(2,3)20-11-13-21(14-12-20)31-24-10-8-7-9-22(24)23(19-32)25(31)29-15-17-30(18-16-29)26(33)34-28(4,5)6/h7-14,19H,15-18H2,1-6H3