tert-butyl 6-[[4-acetamido-2-[(4-pyridin-4-ylcyclohexyl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[[4-acetamido-2-[(4-pyridin-4-ylcyclohexyl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-acetamido-2-[[4-(4-pyridyl)cyclohexanecarbonyl]amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-acetamido-2-[[oxo-(4-pyridin-4-ylcyclohexyl)methyl]amino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-acetamido-2-[(4-pyridin-4-ylcyclohexanecarbonyl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-acetamido-2-[[4-(4-pyridyl)cyclohexanecarbonyl]amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C34H37N5O5 MolecularWeight: 595.68808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=CN3C(=O)OC(C)(C)C)NC(=O)C4CCC(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=CN3C(=O)OC(C)(C)C)NC(=O)C4CCC(CC4)C5=CC=NC=C5

InChI

InChI=1S/C34H37N5O5/c1-21(40)36-26-11-12-28(29(19-26)38-31(41)25-7-5-22(6-8-25)23-13-16-35-17-14-23)32(42)37-27-10-9-24-15-18-39(30(24)20-27)33(43)44-34(2,3)4/h9-20,22,25H,5-8H2,1-4H3,(H,36,40)(H,37,42)(H,38,41)