tert-butyl 4-[[2-[1H-indol-6-ylcarbonyl(phenyl)amino]ethanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[1H-indol-6-ylcarbonyl(phenyl)amino]ethanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(N-[1H-indol-6-yl(oxo)methyl]anilino)-1-oxoethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)CN(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C=CN4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)CN(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C=CN4

InChI

InChI=1S/C28H34N4O4/c1-28(2,3)36-27(35)31-15-12-20(13-16-31)18-30-25(33)19-32(23-7-5-4-6-8-23)26(34)22-10-9-21-11-14-29-24(21)17-22/h4-11,14,17,20,29H,12-13,15-16,18-19H2,1-3H3,(H,30,33)