tert-butyl 6-[[4-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxycarbonylamino]phenyl]carbonylamino]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[[4-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxycarbonylamino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-nitro-2-[[1-(4-pyridyl)-4-piperidyl]methoxycarbonylamino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-nitro-2-[[oxo-[(1-pyridin-4-yl-4-piperidinyl)methoxy]methyl]amino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-nitro-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxycarbonylamino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-nitro-2-[[1-(4-pyridyl)-4-piperidyl]methoxycarbonylamino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C32H34N6O7 MolecularWeight: 614.64836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)OCC4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)OCC4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C32H34N6O7/c1-32(2,3)45-31(41)37-17-12-22-4-5-23(18-28(22)37)34-29(39)26-7-6-25(38(42)43)19-27(26)35-30(40)44-20-21-10-15-36(16-11-21)24-8-13-33-14-9-24/h4-9,12-14,17-19,21H,10-11,15-16,20H2,1-3H3,(H,34,39)(H,35,40)