tert-butyl [2-[[[2-nitro-5-[(phenylmethyl)amino]phenyl]-pentanoyl-amino]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[[2-nitro-5-[(phenylmethyl)amino]phenyl]-pentanoyl-amino]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[5-(benzylamino)-2-nitro-N-pentanoyl-anilino]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-nitro-N-(1-oxopentyl)-5-[(phenylmethyl)amino]anilino]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[5-(benzylamino)-2-nitro-N-pentanoylanilino]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[5-(benzylamino)-2-nitro-N-valeryl-anilino]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C36H39N3O6 MolecularWeight: 609.71136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC(=C1OC(=O)OC(C)(C)C)C2=CC=CC=C2)C3=C(C=CC(=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC(=C1OC(=O)OC(C)(C)C)C2=CC=CC=C2)C3=C(C=CC(=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C36H39N3O6/c1-5-6-20-33(40)38(32-23-29(21-22-31(32)39(42)43)37-24-26-14-9-7-10-15-26)25-28-18-13-19-30(27-16-11-8-12-17-27)34(28)44-35(41)45-36(2,3)4/h7-19,21-23,37H,5-6,20,24-25H2,1-4H3